4-(3,5-dimethoxyphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one

C16H20N2O3 — CID 136769485

IUPAC4-(3,5-dimethoxyphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2cc(OC)cc(OC)c2)c(C)c(=O)[nH]1
InChIInChI=1S/C16H20N2O3/c1-5-6-14-17-15(10(2)16(19)18-14)11-7-12(20-3)9-13(8-11)21-4/h7-9H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyOOIGWPVINLKCCU-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.72
Rot. Bonds5

About 4-(3,5-dimethoxyphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one

4-(3,5-dimethoxyphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one (PubChem CID 136769485) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one
PubChem CID136769485
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-(3,5-dimethoxyphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2cc(OC)cc(OC)c2)c(C)c(=O)[nH]1
InChIInChI=1S/C16H20N2O3/c1-5-6-14-17-15(10(2)16(19)18-14)11-7-12(20-3)9-13(8-11)21-4/h7-9H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyOOIGWPVINLKCCU-UHFFFAOYSA-N
XLogP2.72
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769495
4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one
CID 136770031
4-(3-chloro-4-methylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one
CID 136769809
4-(3,5-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136691708
2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764378
6-(3,5-dimethoxyphenyl)-2-propyl-1H-pyrimidine-4-thione
CID 106519204
5-methyl-4-(2-methylthiophen-3-yl)-2-propyl-1H-pyrimidin-6-one
CID 136955760
3-(3,5-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one
CID 106519195
4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136955442
2-ethyl-5-methyl-4-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one
CID 136769566
5-methyl-4-propan-2-yl-2-propyl-1H-pyrimidin-6-one
CID 136692836
2-ethyl-4-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136769785

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one (CID 136769485) is 4-(3,5-dimethoxyphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one is CCCc1nc(-c2cc(OC)cc(OC)c2)c(C)c(=O)[nH]1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one?
The InChIKey is OOIGWPVINLKCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-5-6-14-17-15(10(2)16(19)18-14)11-7-12(20-3)9-13(8-11)21-4/h7-9H,5-6H2,1-4H3,(H,17,18,19).
What are the key properties of 4-(3,5-dimethoxyphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one?
4-(3,5-dimethoxyphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one has a molecular weight of 288.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136769485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).