4-(4-ethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one

C16H20N2O2 — CID 136691863

IUPAC4-(4-ethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCOc1ccc(-c2nc(C(C)C)[nH]c(=O)c2C)cc1
InChIInChI=1S/C16H20N2O2/c1-5-20-13-8-6-12(7-9-13)14-11(4)16(19)18-15(17-14)10(2)3/h6-10H,5H2,1-4H3,(H,17,18,19)
InChIKeyJUXCDLCHHKIBGZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.27
Rot. Bonds4

About 4-(4-ethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one

4-(4-ethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136691863) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136691863
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-(4-ethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCOc1ccc(-c2nc(C(C)C)[nH]c(=O)c2C)cc1
InChIInChI=1S/C16H20N2O2/c1-5-20-13-8-6-12(7-9-13)14-11(4)16(19)18-15(17-14)10(2)3/h6-10H,5H2,1-4H3,(H,17,18,19)
InChIKeyJUXCDLCHHKIBGZ-UHFFFAOYSA-N
XLogP3.27
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-dimethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769495
4-(3,5-dimethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691706
4-(4-cyclobutylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770174
5-methyl-2-propan-2-yl-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136769311
4-(3-cyclopropyloxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770297
6-(4-ethoxyphenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80975228
2-(1-methoxypropan-2-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136930656
5-chloro-4-(4-ethoxyphenyl)-1H-imidazol-2-amine
CID 12733709
5-(5-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyridine-3-carbonitrile
CID 136769733
4-(4-ethoxyphenyl)-5-methyl-2H-triazole
CID 170147551
3-fluoro-5-(5-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)benzonitrile
CID 136769392
4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136691852

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-ethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one (CID 136691863) is 4-(4-ethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-ethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-ethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one is CCOc1ccc(-c2nc(C(C)C)[nH]c(=O)c2C)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is JUXCDLCHHKIBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-5-20-13-8-6-12(7-9-13)14-11(4)16(19)18-15(17-14)10(2)3/h6-10H,5H2,1-4H3,(H,17,18,19).
What are the key properties of 4-(4-ethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
4-(4-ethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 272.35 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136691863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).