2-amino-7-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]methyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

C20H19FN6O3 — CID 90355750

IUPAC2-amino-7-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]methyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCOc1ncc(-c2cc(F)ccc2CC2Cc3nc(N)ncc3C(=O)N2)c(OC)n1
InChIInChI=1S/C20H19FN6O3/c1-29-18-14(8-24-20(27-18)30-2)13-6-11(21)4-3-10(13)5-12-7-16-15(17(28)25-12)9-23-19(22)26-16/h3-4,6,8-9,12H,5,7H2,1-2H3,(H,25,28)(H2,22,23,26)
InChIKeyVERKUSLTNJMRRO-UHFFFAOYSA-N
MW410.41 g/mol
LogP1.57
Rot. Bonds5

About 2-amino-7-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]methyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

2-amino-7-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]methyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 90355750) has the molecular formula C20H19FN6O3 and a molecular weight of 410.41 g/mol. Its IUPAC name is 2-amino-7-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]methyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-7-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]methyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID90355750
Molecular FormulaC20H19FN6O3
Molecular Weight410.41 g/mol
Exact Mass410.15
IUPAC Name2-amino-7-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]methyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCOc1ncc(-c2cc(F)ccc2CC2Cc3nc(N)ncc3C(=O)N2)c(OC)n1
InChIInChI=1S/C20H19FN6O3/c1-29-18-14(8-24-20(27-18)30-2)13-6-11(21)4-3-10(13)5-12-7-16-15(17(28)25-12)9-23-19(22)26-16/h3-4,6,8-9,12H,5,7H2,1-2H3,(H,25,28)(H2,22,23,26)
InChIKeyVERKUSLTNJMRRO-UHFFFAOYSA-N
XLogP1.57
TPSA125.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-amino-7-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]methyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one with MolForge

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Related Compounds

Hsp-990
CID 46216556
11-amino-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-8-one
CID 3821685
(7R)-2-amino-7-[2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 16225982
2-amino-7-(4-fluoro-2-(6-methoxypyridin-2-yl)phenyl)-4-methyl-7,8-dihydropyrido(4,3-d)pyrimidin-5(6H)-one
CID 16226182
(7R)-2-amino-7-[2-(6-ethoxy-2-pyridinyl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 57424831
(7R)-2-amino-7-[4-methoxy-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 57424917
(7R)-2-amino-7-[5-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 57450675
(7R)-2-amino-7-[2-(6-methoxy-2-pyridinyl)-4-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 57450676
(7R)-2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 118724182
5-(Pyrimidin-5-yl)-6-(tetrahydro-2h-pyran-4-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
CID 72203420
(3-fluoro-2-methoxyphenyl)-[(2R,3R)-2-methyl-3-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
CID 90405699
N-(2,4-difluorophenyl)-2-methoxy-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide
CID 118293473

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]methyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-7-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]methyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (CID 90355750) is 2-amino-7-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]methyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-7-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]methyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-7-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]methyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is COc1ncc(-c2cc(F)ccc2CC2Cc3nc(N)ncc3C(=O)N2)c(OC)n1.
What is the InChIKey of 2-amino-7-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]methyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is VERKUSLTNJMRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O3/c1-29-18-14(8-24-20(27-18)30-2)13-6-11(21)4-3-10(13)5-12-7-16-15(17(28)25-12)9-23-19(22)26-16/h3-4,6,8-9,12H,5,7H2,1-2H3,(H,25,28)(H2,22,23,26).
What are the key properties of 2-amino-7-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]methyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
2-amino-7-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]methyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 410.41 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]methyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 90355750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).