3-acetyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]-4-hydroxy-6-methylpyridin-2-one

C14H16N4O3 — CID 54679877

IUPAC3-acetyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]-4-hydroxy-6-methylpyridin-2-one
SMILESCC(=O)c1c(O)cc(C)n(Nc2nc(C)cc(C)n2)c1=O
InChIInChI=1S/C14H16N4O3/c1-7-5-8(2)16-14(15-7)17-18-9(3)6-11(20)12(10(4)19)13(18)21/h5-6,20H,1-4H3,(H,15,16,17)
InChIKeyFWIHOYMHAFKCEN-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.35
Rot. Bonds3

About 3-acetyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]-4-hydroxy-6-methylpyridin-2-one

3-acetyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 54679877) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-acetyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]-4-hydroxy-6-methylpyridin-2-one
PubChem CID54679877
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name3-acetyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]-4-hydroxy-6-methylpyridin-2-one
SMILESCC(=O)c1c(O)cc(C)n(Nc2nc(C)cc(C)n2)c1=O
InChIInChI=1S/C14H16N4O3/c1-7-5-8(2)16-14(15-7)17-18-9(3)6-11(20)12(10(4)19)13(18)21/h5-6,20H,1-4H3,(H,15,16,17)
InChIKeyFWIHOYMHAFKCEN-UHFFFAOYSA-N
XLogP1.35
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-3-methyl-1H-pyrazol-5-ol
CID 16421705
2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione
CID 7556531
2-(4,6-dimethylpyrimidin-2-yl)-6-propyl-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione
CID 7694308
2-(4,6-Dimethylpyrimidin-2-yl)-5,6-dimethyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
CID 7694320
2-(4,6-dimethylpyrimidin-2-yl)-6-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione
CID 16488232
6-Tert-butyl-2-(4,6-dimethylpyrimidin-2-yl)-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
CID 17129797
N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]acetamide
CID 66495122
N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropanamide
CID 66495130
N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]propanamide
CID 66495131
2-(4,6-Dimethylpyrimidin-2-yl)-4-methyl-1,5-dihydropyrazolo[4,3-c]pyridine-3,6-dione
CID 66495170
2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66495171
2-(4,6-dimethylpyrimidin-2-yl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66495172

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 3-acetyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]-4-hydroxy-6-methylpyridin-2-one (CID 54679877) is 3-acetyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 3-acetyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 3-acetyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]-4-hydroxy-6-methylpyridin-2-one is CC(=O)c1c(O)cc(C)n(Nc2nc(C)cc(C)n2)c1=O.
What is the InChIKey of 3-acetyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is FWIHOYMHAFKCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-7-5-8(2)16-14(15-7)17-18-9(3)6-11(20)12(10(4)19)13(18)21/h5-6,20H,1-4H3,(H,15,16,17).
What are the key properties of 3-acetyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]-4-hydroxy-6-methylpyridin-2-one?
3-acetyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 288.31 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 54679877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).