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

C16H20N2O3 — CID 135438746

IUPAC5-(3,4-dimethoxyphenyl)-4-methyl-2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(C)c(-c2ccc(OC)c(OC)c2)c(=O)[nH]1
InChIInChI=1S/C16H20N2O3/c1-5-6-14-17-10(2)15(16(19)18-14)11-7-8-12(20-3)13(9-11)21-4/h7-9H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyLWTGFNHDTKARMP-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.72
Rot. Bonds5

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

5-(3,4-dimethoxyphenyl)-4-methyl-2-propyl-1H-pyrimidin-6-one (PubChem CID 135438746) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-4-methyl-2-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-4-methyl-2-propyl-1H-pyrimidin-6-one
PubChem CID135438746
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-(3,4-dimethoxyphenyl)-4-methyl-2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(C)c(-c2ccc(OC)c(OC)c2)c(=O)[nH]1
InChIInChI=1S/C16H20N2O3/c1-5-6-14-17-10(2)15(16(19)18-14)11-7-8-12(20-3)13(9-11)21-4/h7-9H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyLWTGFNHDTKARMP-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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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-4-methyl-2-propyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-4-methyl-2-propyl-1H-pyrimidin-6-one (CID 135438746) is 5-(3,4-dimethoxyphenyl)-4-methyl-2-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-4-methyl-2-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-4-methyl-2-propyl-1H-pyrimidin-6-one is CCCc1nc(C)c(-c2ccc(OC)c(OC)c2)c(=O)[nH]1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-4-methyl-2-propyl-1H-pyrimidin-6-one?
The InChIKey is LWTGFNHDTKARMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-5-6-14-17-10(2)15(16(19)18-14)11-7-8-12(20-3)13(9-11)21-4/h7-9H,5-6H2,1-4H3,(H,17,18,19).
What are the key properties of 5-(3,4-dimethoxyphenyl)-4-methyl-2-propyl-1H-pyrimidin-6-one?
5-(3,4-dimethoxyphenyl)-4-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 5-(3,4-dimethoxyphenyl)-4-methyl-2-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135438746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).