AG003R3R

108-53-2 | 2-AMinopyriMidin-4(1H)-one

AG003R3R

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CAS Number	108-53-2
Catalog Number	AG003R3R(AGN-PC-0NWYMK)
Chemical Name	2-AMinopyriMidin-4(1H)-one
EC Number	203-592-0
IUPAC Name	2-amino-1H-pyrimidin-6-one
InChI	InChI=1S/C4H5N3O/c5-4-6-2-1-3(8)7-4/h1-2H,(H3,5,6,7,8)
InChI Key	XQCZBXHVTFVIFE-UHFFFAOYSA-N
MDL Number	MFCD30183437
Molecular Formula	C4H5N3O
Molecular Weight	111.1020
NSC Number	49118
SMILES	O=C1NC(N)=NC=C1
Synonyms	isocytosine, Isocytosine, 2-Amino-4-hydroxypyrimidine, 108-53-2, 2-aminopyrimidin-4-ol, 2-aminopyrimidin-4(1H)-one, 100643-25-2, 2-Amino-4-pyrimdinol, 2-Amino-4-pyrimidone, 2-Amino-4-oxypyrimidine, 2-Aminouracil, 4-Pyrimidinol, 2-amino-, 674-97-5, 4(1H)-Pyrimidinone, 2-amino-, 2-AMINO-3,4-DIHYDROPYRIMIDIN-4-ONE, 4(3H)-Pyrimidinone, 2-amino-, 2-amino-4-pyrimidinol, 2-amino-1H-pyrimidin-6-one, CHEBI:55502, MFCD00057557, NSC 49118, CHEMBL56260, XQCZBXHVTFVIFE-UHFFFAOYSA-N, Isocytosine, 99%, 2-amino-1,4-dihydropyrimidin-4-one, 4-hydroxy-2-pyrimidineamine, Isocytosine (VAN), 4-Pyrimidinol, 2-amino- (9CI), EINECS 203-592-0, zlchem 273, 2-Amino-4-pyrimidol, PubChem15780, 2-Imino-6-pyrimidinon, 4(1H)-Pyrimidinone, 2-amino- (9CI), ACMC-20a0qn, Isocytosine, >=99%, AI3-52238, 4-pyrimidinol,2-amino-, 2-Aminopyrimidin-4-ol,, Epitope ID:119698, AC1L26IW, AC1Q6C0V, SCHEMBL4825, hydroxy-(2-amino)pyrimidine, 155831-94-0, 2-amino-1H-pyrimidin-4-one, 2-aminopyrimidin-4(3H)-one, 2-Amino-3H-pyrimidin-4-one, 2-Amino-4(1H)-pyrimidinone, PYR400, SCHEMBL8852643, 2-amino-3-hydropyrimidin-4-one, CTK0E0040, CTK7E0585, CTK8H0920, CTK8H0921, 2-Amino-4(1H)-pyrimidinone #, DTXSID00148350, ZLC0091, ACT01431, EBD53112, KS-000003DQ, KS-000024IZ, NSC49118, ANW-51885, BDBM50405230, CA-983, MFCD00023256, NSC-49118, ZINC14419854, 1,4-dihydro-2-amino-4-oxopyrimidine, AKOS010519665, AKOS015854926, AKOS016034248, CS-W002272, DS-0256, HY-W002272, MCULE-7474139826, NE11788, PB29007, RP19007, RTR-001969, SB10360, VP50086, 145358-63-0, AJ-64844, AK-23592, AK-77015, AN-42888, BR-23592, HC210308, I831, SC-13692, SC-44636, SY013450, 4(1h)-pyrimidinone,2,3-dihydro-2-imino-, AB0013907, AB0070901, AB1007204, AB1007750, ST2416465, TR-001969, TR-037459, 4CH-001482, AM20080033, FT-0602441, FT-0693428, I0814, ST50974934, TL80090715, MFCD00057557 (98%), A-4898, K-0609, 16057-EP2281563A1, 16057-EP2316459A1, 16472-EP2281563A1, 16472-EP2316459A1, 26766-EP2314583A1, 108I532, 674A975, AC-907/25004299, W-200787, Z1492796832, InChI=1/C4H5N3O/c5-4-6-2-1-3(8)7-4/h1-2H,(H3,5,6,7,8, null, 2-amino-6-hydroxypyrimidine, C4H5N3O, Isocytosine, 99% - 1G 1g, C4-H5-N3-O, CID66950, 4(3H)-Pyrimidinone, 2-amino- (9CI), 4-Pyrimidinol, 1,2-dihydro-2-imino- (9CI), 4-Pyrimidinol, 2,3-dihydro-2-imino- (9CI), 4(1H)-Pyrimidinone, 2,3-dihydro-2-imino- (9CI), 4-Pyrimidinol, 1,2-dihydro-2-imino-, (E)- (9CI), 4-Pyrimidinol, 1,2-dihydro-2-imino-, (Z)- (9CI), 4-Pyrimidinol, 2,3-dihydro-2-imino-, (E)- (9CI), 4-Pyrimidinol, 2,3-dihydro-2-imino-, (Z)- (9CI), 4(1H)-Pyrimidinone, 2,3-dihydro-2-imino-, (E)- (9CI), 4(1H)-Pyrimidinone, 2,3-dihydro-2-imino-, (Z)- (9CI), 107646-85-5, 107646-87-7, 155831-92-8, 155831-93-9, 176773-00-5, 176773-01-6, 176773-02-7, 176799-47-6,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	111.043g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	111.104g/mol
Monoisotopic Mass	111.043g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	67.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H319
Precuationary statements	P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number