(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

C21H23N7O2 — CID 57424925

IUPAC(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
SMILESCOc1nc(-c2ccccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)cnc1N(C)C
InChIInChI=1S/C21H23N7O2/c1-11-17-15(27-21(22)24-11)9-14(25-19(17)29)12-7-5-6-8-13(12)16-10-23-18(28(2)3)20(26-16)30-4/h5-8,10,14H,9H2,1-4H3,(H,25,29)(H2,22,24,27)/t14-/m1/s1
InChIKeyYBVKFZNMXWXMGY-CQSZACIVSA-N
MW405.46 g/mol
LogP1.93
Rot. Bonds4

About (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

(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 (PubChem CID 57424925) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID57424925
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC Name(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
SMILESCOc1nc(-c2ccccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)cnc1N(C)C
InChIInChI=1S/C21H23N7O2/c1-11-17-15(27-21(22)24-11)9-14(25-19(17)29)12-7-5-6-8-13(12)16-10-23-18(28(2)3)20(26-16)30-4/h5-8,10,14H,9H2,1-4H3,(H,25,29)(H2,22,24,27)/t14-/m1/s1
InChIKeyYBVKFZNMXWXMGY-CQSZACIVSA-N
XLogP1.93
TPSA119.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Related Compounds

(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-[2-(5-amino-6-ethoxypyrazin-2-yl)phenyl]-4-ethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 71198843
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
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
2-amino-7-[4-fluoro-2-(2-methoxy-1,3-thiazol-5-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 67238292
2-amino-7-[2-(2,3-difluorophenyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 46219836
(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
(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-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69450194
2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69450112
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1nc(-c2ccccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)cnc1N(C)C.
What is the InChIKey of (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?
The InChIKey is YBVKFZNMXWXMGY-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-11-17-15(27-21(22)24-11)9-14(25-19(17)29)12-7-5-6-8-13(12)16-10-23-18(28(2)3)20(26-16)30-4/h5-8,10,14H,9H2,1-4H3,(H,25,29)(H2,22,24,27)/t14-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 405.46 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 57424925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).