AG00EA08

5661-01-8 | 1,5,6,7-Tetrahydrocyclopenta[d]pyrimidin-4-one

AG00EA08

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CAS Number	5661-01-8
Catalog Number	AG00EA08(AGN-PC-0OCEOU)
Chemical Name	1,5,6,7-Tetrahydrocyclopenta[d]pyrimidin-4-one
IUPAC Name	3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
InChI	InChI=1S/C7H8N2O/c10-7-5-2-1-3-6(5)8-4-9-7/h4H,1-3H2,(H,8,9,10)
InChI Key	RCTLNIIGJAMFQP-UHFFFAOYSA-N
MDL Number	MFCD10478936
Molecular Formula	C7H8N2O
Molecular Weight	136.1512
NSC Number	28095
SMILES	O=C1C(CCC2)=C2N=CN1
Synonyms	5661-01-8, 6,7-dihydro-3H-cyclopenta[d]pyrimidin-4(5H)-one, 6,7-Dihydro-5H-cyclopentapyrimidin-4-ol, 1,5,6,7-tetrahydro-4h-cyclopenta[d]pyrimidin-4-one, 1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one, 3H,4H,5H,6H,7H-CYCLOPENTA[D]PYRIMIDIN-4-ONE, 5H,6H,7H-cyclopenta[d]pyrimidin-4-ol, 6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol, 3,5,6,7-Tetrahydro-cyclopentapyrimidin-4-one, NSC28095, AC1L5M4Z, AC1Q2AP5, SCHEMBL192283, CTK5A5416, CTK7H5850, CTK8A0882, KS-00000OUH, DTXSID50282819, RCTLNIIGJAMFQP-UHFFFAOYSA-N, ANW-49961, MFCD00223593, NSC-28095, SBB056329, ZINC16855224, AKOS002300471, AKOS015997286, AKOS025116914, CS-W004505, DS-0546, MCULE-1547671360, NE11400, PB13149, RP20275, AC-24343, AJ-69574, EN001303, SY016088, TS-01748, TC-138706, 3H,5H,6H,7H-cyclopenta[d]pyrimidin-4-one, 4CH-010575, BB 0256651, FT-0690904, FT-0696651, ST24024190, ST50793805, W7019, MFCD00223593 (95%), Q-1339, 661D018, 4H-Cyclopentapyrimidin-4-one,3,5,6,7-tetrahydro-, 6,7-dihydro-1H-cyclopenta[d]pyrimidin-4(5H)-one, I14-8533, J-511232, 1,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidin-4-one, 3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, 3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidin-4-one, F3379-0305, F8888-2721, Z1703168237, C7H8N2O, KST-1A9652, AR-1B7989, CID231638, A1344, 4H-Cyclopentapyrimidin-4-one, 3,5,6,7-tetrahydro- (8CI,9CI), 10347-87-2,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	136.064g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	136.154g/mol
Monoisotopic Mass	136.064g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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