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

C16H20N2O3 — CID 136769495

IUPAC4-(3,5-dimethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOc1cc(OC)cc(-c2nc(C(C)C)[nH]c(=O)c2C)c1
InChIInChI=1S/C16H20N2O3/c1-9(2)15-17-14(10(3)16(19)18-15)11-6-12(20-4)8-13(7-11)21-5/h6-9H,1-5H3,(H,17,18,19)
InChIKeyCXGCMQGSBGWGFL-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.89
Rot. Bonds4

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

4-(3,5-dimethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136769495) 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-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136769495
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-(3,5-dimethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOc1cc(OC)cc(-c2nc(C(C)C)[nH]c(=O)c2C)c1
InChIInChI=1S/C16H20N2O3/c1-9(2)15-17-14(10(3)16(19)18-15)11-6-12(20-4)8-13(7-11)21-5/h6-9H,1-5H3,(H,17,18,19)
InChIKeyCXGCMQGSBGWGFL-UHFFFAOYSA-N
XLogP2.89
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one (CID 136769495) is 4-(3,5-dimethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one is COc1cc(OC)cc(-c2nc(C(C)C)[nH]c(=O)c2C)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is CXGCMQGSBGWGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-9(2)15-17-14(10(3)16(19)18-15)11-6-12(20-4)8-13(7-11)21-5/h6-9H,1-5H3,(H,17,18,19).
What are the key properties of 4-(3,5-dimethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
4-(3,5-dimethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 288.35 g/mol, XLogP of 2.89, 4 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-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136769495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).