6-acetyl-8-cyclobutyl-2-[[(3S,4S)-3-hydroxyoxan-4-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one

C19H24N4O4 — CID 155210544

IUPAC6-acetyl-8-cyclobutyl-2-[[(3S,4S)-3-hydroxyoxan-4-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(N[C@H]3CCOC[C@H]3O)nc2n(C2CCC2)c1=O
InChIInChI=1S/C19H24N4O4/c1-10-13-8-20-19(21-14-6-7-27-9-15(14)25)22-17(13)23(12-4-3-5-12)18(26)16(10)11(2)24/h8,12,14-15,25H,3-7,9H2,1-2H3,(H,20,21,22)/t14-,15+/m0/s1
InChIKeyRGNVSYDAMGOPSH-LSDHHAIUSA-N
MW372.43 g/mol
LogP1.59
Rot. Bonds4

About 6-acetyl-8-cyclobutyl-2-[[(3S,4S)-3-hydroxyoxan-4-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one

6-acetyl-8-cyclobutyl-2-[[(3S,4S)-3-hydroxyoxan-4-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 155210544) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 6-acetyl-8-cyclobutyl-2-[[(3S,4S)-3-hydroxyoxan-4-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-acetyl-8-cyclobutyl-2-[[(3S,4S)-3-hydroxyoxan-4-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID155210544
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name6-acetyl-8-cyclobutyl-2-[[(3S,4S)-3-hydroxyoxan-4-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(N[C@H]3CCOC[C@H]3O)nc2n(C2CCC2)c1=O
InChIInChI=1S/C19H24N4O4/c1-10-13-8-20-19(21-14-6-7-27-9-15(14)25)22-17(13)23(12-4-3-5-12)18(26)16(10)11(2)24/h8,12,14-15,25H,3-7,9H2,1-2H3,(H,20,21,22)/t14-,15+/m0/s1
InChIKeyRGNVSYDAMGOPSH-LSDHHAIUSA-N
XLogP1.59
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-acetyl-8-cyclobutyl-2-[[(3S,4S)-3-hydroxyoxan-4-yl]amino]-5-methylpyrido[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

6-acetyl-2-[[(3R,4S)-3-hydroxyoxan-4-yl]amino]-5-methyl-8-[(1R,2S)-2-methylcyclopentyl]pyrido[2,3-d]pyrimidin-7-one
CID 155210504
6-acetyl-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 155210476
3-acetyl-1-cyclopentyl-7-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-4-methyl-1,6-naphthyridin-2-one
CID 155210486
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 5330303
bis(6-acetyl-8-cyclopentyl-2,5-dimethylpyrido[2,3-d]pyrimidin-7-one);ethane
CID 166112371
6-acetyl-8-cyclopentyl-2,5-dimethylpyrido[2,3-d]pyrimidin-7-one;methanamine
CID 144744641
4-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]benzoic acid
CID 58608839
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 10173482
phenyl 4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylate
CID 178071479
4-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]benzaldehyde
CID 129276161
6-acetyl-2-[[5-[4-(4-acetylpiperazin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 118699829
N-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-N-methylacetamide
CID 22329907

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-cyclobutyl-2-[[(3S,4S)-3-hydroxyoxan-4-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-acetyl-8-cyclobutyl-2-[[(3S,4S)-3-hydroxyoxan-4-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one (CID 155210544) is 6-acetyl-8-cyclobutyl-2-[[(3S,4S)-3-hydroxyoxan-4-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-acetyl-8-cyclobutyl-2-[[(3S,4S)-3-hydroxyoxan-4-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-acetyl-8-cyclobutyl-2-[[(3S,4S)-3-hydroxyoxan-4-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one is CC(=O)c1c(C)c2cnc(N[C@H]3CCOC[C@H]3O)nc2n(C2CCC2)c1=O.
What is the InChIKey of 6-acetyl-8-cyclobutyl-2-[[(3S,4S)-3-hydroxyoxan-4-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RGNVSYDAMGOPSH-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-10-13-8-20-19(21-14-6-7-27-9-15(14)25)22-17(13)23(12-4-3-5-12)18(26)16(10)11(2)24/h8,12,14-15,25H,3-7,9H2,1-2H3,(H,20,21,22)/t14-,15+/m0/s1.
What are the key properties of 6-acetyl-8-cyclobutyl-2-[[(3S,4S)-3-hydroxyoxan-4-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
6-acetyl-8-cyclobutyl-2-[[(3S,4S)-3-hydroxyoxan-4-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 372.43 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-8-cyclobutyl-2-[[(3S,4S)-3-hydroxyoxan-4-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 155210544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).