5-acetyl-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

C14H16N2O4 — CID 3732683

IUPAC5-acetyl-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCOc1cc(C2NC(=O)NC(C)=C2C(C)=O)ccc1O
InChIInChI=1S/C14H16N2O4/c1-7-12(8(2)17)13(16-14(19)15-7)9-4-5-10(18)11(6-9)20-3/h4-6,13,18H,1-3H3,(H2,15,16,19)
InChIKeyNEOJZLOWWQGSAD-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.62
Rot. Bonds3

About 5-acetyl-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

5-acetyl-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 3732683) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 5-acetyl-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-acetyl-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID3732683
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name5-acetyl-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCOc1cc(C2NC(=O)NC(C)=C2C(C)=O)ccc1O
InChIInChI=1S/C14H16N2O4/c1-7-12(8(2)17)13(16-14(19)15-7)9-4-5-10(18)11(6-9)20-3/h4-6,13,18H,1-3H3,(H2,15,16,19)
InChIKeyNEOJZLOWWQGSAD-UHFFFAOYSA-N
XLogP1.62
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-acetyl-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (CID 3732683) is 5-acetyl-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-acetyl-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-acetyl-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is COc1cc(C2NC(=O)NC(C)=C2C(C)=O)ccc1O.
What is the InChIKey of 5-acetyl-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is NEOJZLOWWQGSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-7-12(8(2)17)13(16-14(19)15-7)9-4-5-10(18)11(6-9)20-3/h4-6,13,18H,1-3H3,(H2,15,16,19).
What are the key properties of 5-acetyl-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
5-acetyl-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 276.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 3732683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).