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

C14H16N2O3 — CID 2998180

IUPAC5-acetyl-4-(2-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCOc1ccccc1C1NC(=O)NC(C)=C1C(C)=O
InChIInChI=1S/C14H16N2O3/c1-8-12(9(2)17)13(16-14(18)15-8)10-6-4-5-7-11(10)19-3/h4-7,13H,1-3H3,(H2,15,16,18)
InChIKeyZGOHIZMNXVJNSY-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.91
Rot. Bonds3

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

5-acetyl-4-(2-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 2998180) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-acetyl-4-(2-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-acetyl-4-(2-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID2998180
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-acetyl-4-(2-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCOc1ccccc1C1NC(=O)NC(C)=C1C(C)=O
InChIInChI=1S/C14H16N2O3/c1-8-12(9(2)17)13(16-14(18)15-8)10-6-4-5-7-11(10)19-3/h4-7,13H,1-3H3,(H2,15,16,18)
InChIKeyZGOHIZMNXVJNSY-UHFFFAOYSA-N
XLogP1.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
CID 3097577
Ethyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 493411
4-(4-methoxyphenyl)-4,6,7,8-tetrahydro-2,5(1H,3H)-quinazolinedione
CID 4149175
4-Methoxybenzyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2855521
5-Acetyl-4-(4-methoxy-phenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 2818276
4-[4-(Difluoromethoxy)phenyl]-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 5021241
Cyclohexyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2836905
Ethyl 4-(2-methoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2864928
4-Methoxybenzyl 4-(2-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 2854457
(4-methoxyphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2854688
Cyclohexylmethyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2855594
3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-phenyl)-1-(2-methoxy-benzyl)-6-methyl-1H-pyrimidine-2,4-dione
CID 11330603

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-(2-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-acetyl-4-(2-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (CID 2998180) is 5-acetyl-4-(2-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-acetyl-4-(2-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-acetyl-4-(2-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is COc1ccccc1C1NC(=O)NC(C)=C1C(C)=O.
What is the InChIKey of 5-acetyl-4-(2-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is ZGOHIZMNXVJNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-12(9(2)17)13(16-14(18)15-8)10-6-4-5-7-11(10)19-3/h4-7,13H,1-3H3,(H2,15,16,18).
What are the key properties of 5-acetyl-4-(2-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
5-acetyl-4-(2-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 260.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-(2-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 2998180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).