2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8-[(3S)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one

C17H18N6O2 — CID 45257087

IUPAC2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8-[(3S)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(-c1ccc(N)nc1)c(=O)n2[C@H]1CCOC1
InChIInChI=1S/C17H18N6O2/c1-9-12-6-13(10-2-3-14(18)20-7-10)16(24)23(11-4-5-25-8-11)15(12)22-17(19)21-9/h2-3,6-7,11H,4-5,8H2,1H3,(H2,18,20)(H2,19,21,22)/t11-/m0/s1
InChIKeyPPDYHMXJTNTNFD-NSHDSACASA-N
MW338.37 g/mol
LogP1.29
Rot. Bonds2

About 2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8-[(3S)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one

2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8-[(3S)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 45257087) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8-[(3S)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8-[(3S)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID45257087
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8-[(3S)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(-c1ccc(N)nc1)c(=O)n2[C@H]1CCOC1
InChIInChI=1S/C17H18N6O2/c1-9-12-6-13(10-2-3-14(18)20-7-10)16(24)23(11-4-5-25-8-11)15(12)22-17(19)21-9/h2-3,6-7,11H,4-5,8H2,1H3,(H2,18,20)(H2,19,21,22)/t11-/m0/s1
InChIKeyPPDYHMXJTNTNFD-NSHDSACASA-N
XLogP1.29
TPSA121.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8-[(3S)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-6-bromo-4-methyl-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one
CID 59272731
2-amino-8-cyclopentyl-6-(2-methoxypyrimidin-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59259015
2-[4-[2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide
CID 25032388
2-amino-6-[1-(ethoxymethyl)imidazol-2-yl]-4-methyl-8-[(3S)-oxan-3-yl]pyrido[2,3-d]pyrimidin-7-one
CID 25050348
2-amino-6-bromo-4-methyl-8-(4-methyl-1,4-oxazepan-6-yl)pyrido[2,3-d]pyrimidin-7-one
CID 42609544
2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;oxane
CID 143970024
2-amino-6-bromo-8-cyclopropyl-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 71131657
2-amino-6-bromo-8-cyclobutyl-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 67240606
N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]-4-methylbenzenesulfonamide
CID 72947197
N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]ethanesulfonamide
CID 72946778
N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 72946987
2-[4-[2-amino-6-(5-fluoro-2-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide
CID 67238402

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8-[(3S)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8-[(3S)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one (CID 45257087) is 2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8-[(3S)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8-[(3S)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8-[(3S)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one is Cc1nc(N)nc2c1cc(-c1ccc(N)nc1)c(=O)n2[C@H]1CCOC1.
What is the InChIKey of 2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8-[(3S)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PPDYHMXJTNTNFD-NSHDSACASA-N. The full InChI is InChI=1S/C17H18N6O2/c1-9-12-6-13(10-2-3-14(18)20-7-10)16(24)23(11-4-5-25-8-11)15(12)22-17(19)21-9/h2-3,6-7,11H,4-5,8H2,1H3,(H2,18,20)(H2,19,21,22)/t11-/m0/s1.
What are the key properties of 2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8-[(3S)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one?
2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8-[(3S)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 338.37 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8-[(3S)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 45257087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).