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

C18H15FN6O2 — CID 67237448

IUPAC2-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
SMILESCc1nc(N)nc2c1C(=O)NC(c1ccc(F)cc1-c1cncc(=O)[nH]1)C2
InChIInChI=1S/C18H15FN6O2/c1-8-16-13(25-18(20)22-8)5-12(24-17(16)27)10-3-2-9(19)4-11(10)14-6-21-7-15(26)23-14/h2-4,6-7,12H,5H2,1H3,(H,23,26)(H,24,27)(H2,20,22,25)
InChIKeyNRTYBVPVPQHSLZ-UHFFFAOYSA-N
MW366.36 g/mol
LogP1.28
Rot. Bonds2

About 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

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 (PubChem CID 67237448) has the molecular formula C18H15FN6O2 and a molecular weight of 366.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID67237448
Molecular FormulaC18H15FN6O2
Molecular Weight366.36 g/mol
Exact Mass366.12
IUPAC Name2-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
SMILESCc1nc(N)nc2c1C(=O)NC(c1ccc(F)cc1-c1cncc(=O)[nH]1)C2
InChIInChI=1S/C18H15FN6O2/c1-8-16-13(25-18(20)22-8)5-12(24-17(16)27)10-3-2-9(19)4-11(10)14-6-21-7-15(26)23-14/h2-4,6-7,12H,5H2,1H3,(H,23,26)(H,24,27)(H2,20,22,25)
InChIKeyNRTYBVPVPQHSLZ-UHFFFAOYSA-N
XLogP1.28
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-1,3-thiazol-5-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 67238292
(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
(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-[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
2-amino-7-[2-(6-chloropyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 87838008
(7R)-2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one;(7R)-2-amino-7-(2-cyclopentyloxy-4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 159800986
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
2-amino-7-[4-fluoro-2-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69451789
(7R)-2-amino-7-[4-fluoro-2-(2-methylphenyl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 59205073
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(N)nc2c1C(=O)NC(c1ccc(F)cc1-c1cncc(=O)[nH]1)C2.
What is the InChIKey of 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?
The InChIKey is NRTYBVPVPQHSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O2/c1-8-16-13(25-18(20)22-8)5-12(24-17(16)27)10-3-2-9(19)4-11(10)14-6-21-7-15(26)23-14/h2-4,6-7,12H,5H2,1H3,(H,23,26)(H,24,27)(H2,20,22,25).
What are the key properties of 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?
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 has a molecular weight of 366.36 g/mol, XLogP of 1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 67237448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).