AG001M7S

1500-85-2 | 4-Amino-7H-pyrrolo[2,3-d]pyrimidine

AG001M7S

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CAS Number	1500-85-2
Catalog Number	AG001M7S(AGN-PC-0O41S7)
Chemical Name	4-Amino-7H-pyrrolo[2,3-d]pyrimidine
IUPAC Name	7H-pyrrolo[2,3-d]pyrimidin-4-amine
InChI	InChI=1S/C6H6N4/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H3,7,8,9,10)
InChI Key	PEHVGBZKEYRQSX-UHFFFAOYSA-N
MDL Number	MFCD01686848
Molecular Formula	C6H6N4
Molecular Weight	134.1386
SMILES	n1cnc2[nH]ccc2(c1N)
Synonyms	7-deazaadenine, 1500-85-2, 4-Amino-7H-pyrrolo[2,3-d]pyrimidine, 7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 7-Deazaadenine, 4-Aminopyrrolo(2,3-d)pyrimidine, 4-Aminopyrrolo[2,3-d]pyrimidine, 7H-Pyrrolo[2,3-d]pyrimidin-4-ylamine, BRN 0743053, PEHVGBZKEYRQSX-UHFFFAOYSA-N, MFCD01686848, 1H-Pyrrolo[2,3-d]pyrimidin-4-amine, 7H-Pyrrolo[2,3-d]pyrimidine, 4-amino-, 7H-PYRROLO(2,3-d)PYRIMIDINE, 4-AMINO-, PubChem14980, AC1NSE44, SCHEMBL39050, KSC177Q6H, CHEMBL356894, 6-Amino-7-deazapurine, 97%, CTK0H7863, DTXSID30164447, BH793, BH794, pyrrolo[2,3-d]pyrimidin-4-amine, 4-amino-pyrrolo[2,3-d]pyrimidine, ACT04514, BCP26536, ANW-51245, CA-678, CP-602, FC0550, pyrrolo[2,3-d]pyrimidine-4-ylamine, SBB052063, ZINC13518237, 7h-pyrrolo[2,3-d]pyrimidine-4-amine, AKOS005257696, AKOS025149386, AS-2057, CS-W002818, HP21906, LS40962, PB17227, QC-7749, RP01034, RTC-010067, TRA0032840, KS-000003G5, 7H-pyrrolo[2,3-d] pyrimidin-4- amine, AC-23133, AJ-64031, AK-23736, AN-49337, BC652903, BR-23736, CJ-14409, SC-25865, SY005678, AB0033617, AB1000543, LS-139539, ST1191199, TC-010067, AM20080382, BB 0260804, C2736, FT-0650458, TL80090988, X7282, C-1355, MFCD01686848 (97+%), 500A852, I14-4650, W-201336, InChI=1/C6H6N4/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H3,7,8,9,10, C6H6N4, C6-H6-N4, ACN-030479, CID5359620, 1h-pyrrolo[2,3-d]pyrimidin-4-amine (9ci), A3299,

Complexity	127
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	134.059g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	134.142g/mol
Monoisotopic Mass	134.059g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	67.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number