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Home > Pyridines > 2177266-59-8
2177266-59-8 | 2-imino-7,7-dimethyl-2,3,7,8-tetrahydropyrido[4,3-d]pyrimidin-5(6H)-one
CAS No: 2177266-59-8 Catalog No: AG01EFMM MDL No:
Product Description
Catalog Number:
AG01EFMM
Chemical Name:
2-imino-7,7-dimethyl-2,3,7,8-tetrahydropyrido[4,3-d]pyrimidin-5(6H)-one
CAS Number:
2177266-59-8
Molecular Formula:
C9H12N4O
Molecular Weight:
192.2178
IUPAC Name:
2-imino-7,7-dimethyl-6,8-dihydro-4aH-pyrido[4,3-d]pyrimidin-5-one
InChI:
InChI=1S/C9H12N4O/c1-9(2)3-6-5(7(14)13-9)4-11-8(10)12-6/h4-5,10H,3H2,1-2H3,(H,13,14)
InChI Key:
JIGYIXAOZQNLKL-UHFFFAOYSA-N
SMILES:
O=C1NC(C)(C)Cc2c1c[nH]c(=N)n2
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.222g/mol
Monoisotopic Mass:
192.101g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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