2-amino-7-[2-(2-methoxy-3-pyridinyl)-6-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

C21H21N5O2 — CID 71198787

IUPAC2-amino-7-[2-(2-methoxy-3-pyridinyl)-6-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCOc1ncccc1-c1cccc(C)c1C1Cc2nc(N)nc(C)c2C(=O)N1
InChIInChI=1S/C21H21N5O2/c1-11-6-4-7-13(14-8-5-9-23-20(14)28-3)17(11)15-10-16-18(19(27)25-15)12(2)24-21(22)26-16/h4-9,15H,10H2,1-3H3,(H,25,27)(H2,22,24,26)
InChIKeyOBLSSRSGQYXUMT-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.77
Rot. Bonds3

About 2-amino-7-[2-(2-methoxy-3-pyridinyl)-6-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

2-amino-7-[2-(2-methoxy-3-pyridinyl)-6-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 71198787) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-amino-7-[2-(2-methoxy-3-pyridinyl)-6-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-7-[2-(2-methoxy-3-pyridinyl)-6-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID71198787
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-amino-7-[2-(2-methoxy-3-pyridinyl)-6-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCOc1ncccc1-c1cccc(C)c1C1Cc2nc(N)nc(C)c2C(=O)N1
InChIInChI=1S/C21H21N5O2/c1-11-6-4-7-13(14-8-5-9-23-20(14)28-3)17(11)15-10-16-18(19(27)25-15)12(2)24-21(22)26-16/h4-9,15H,10H2,1-3H3,(H,25,27)(H2,22,24,26)
InChIKeyOBLSSRSGQYXUMT-UHFFFAOYSA-N
XLogP2.77
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(7R)-2-amino-7-[2-[5-(dimethylamino)-6-methoxypyrazin-2-yl]phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 57424925
(7R)-2-amino-7-[2-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 58882217
2-amino-7-[2-(5-amino-6-methoxypyrazin-2-yl)-4-methoxyphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 67237495
(7R)-2-amino-7-[4-fluoro-2-(4-methoxypyrimidin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 57424817
2-amino-7-[5-methoxy-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 67238580
(7R)-2-amino-7-(4-fluorophenyl)-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 57424852
2-amino-7-[2-(2,3-difluorophenyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 46219836
2-amino-7-[4-fluoro-2-(2-methoxy-3-pyridinyl)phenyl]-4-methyl-6-(3-methylbutyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 67238114
2-amino-7-[2-ethoxy-6-(2-fluoro-3-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69451074
2-amino-7-[4-fluoro-2-(6-oxo-1H-pyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 67237448
2-amino-7-[4-fluoro-2-[3-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 67065371
(NZ)-N-[2-amino-7-(2,6-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 87290823

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[2-(2-methoxy-3-pyridinyl)-6-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-7-[2-(2-methoxy-3-pyridinyl)-6-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (CID 71198787) is 2-amino-7-[2-(2-methoxy-3-pyridinyl)-6-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-7-[2-(2-methoxy-3-pyridinyl)-6-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-7-[2-(2-methoxy-3-pyridinyl)-6-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is COc1ncccc1-c1cccc(C)c1C1Cc2nc(N)nc(C)c2C(=O)N1.
What is the InChIKey of 2-amino-7-[2-(2-methoxy-3-pyridinyl)-6-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is OBLSSRSGQYXUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-11-6-4-7-13(14-8-5-9-23-20(14)28-3)17(11)15-10-16-18(19(27)25-15)12(2)24-21(22)26-16/h4-9,15H,10H2,1-3H3,(H,25,27)(H2,22,24,26).
What are the key properties of 2-amino-7-[2-(2-methoxy-3-pyridinyl)-6-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
2-amino-7-[2-(2-methoxy-3-pyridinyl)-6-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 375.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[2-(2-methoxy-3-pyridinyl)-6-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 71198787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).