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

C16H20N2O2 — CID 136696949

IUPAC2-(2-methoxy-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCOc1cc(C)ccc1-c1nc(C)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C16H20N2O2/c1-9(2)14-11(4)17-15(18-16(14)19)12-7-6-10(3)8-13(12)20-5/h6-9H,1-5H3,(H,17,18,19)
InChIKeyZZYMGDMPMQESKX-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.19
Rot. Bonds3

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

2-(2-methoxy-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136696949) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136696949
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(2-methoxy-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCOc1cc(C)ccc1-c1nc(C)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C16H20N2O2/c1-9(2)14-11(4)17-15(18-16(14)19)12-7-6-10(3)8-13(12)20-5/h6-9H,1-5H3,(H,17,18,19)
InChIKeyZZYMGDMPMQESKX-UHFFFAOYSA-N
XLogP3.19
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethoxyphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63611623
2-(4-chloro-2-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136877714
2-(4-chloro-2-methoxyphenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136980758
4-cyclopropyl-5-iodo-2-(2-methoxy-4-methylphenyl)-1H-pyrimidin-6-one
CID 136696967
5-bromo-2-(2-methoxy-4-methylphenyl)-4-propyl-1H-pyrimidin-6-one
CID 136696956
2-(2,5-dimethylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63613309
4-amino-2-(2-bromo-4-methylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 136827863
2-(2-methoxy-4-methylphenyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106794205
2-(3-chloro-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136873133
5-ethyl-2-(2-methoxy-4-methylphenyl)-6-methyl-1H-pyrimidine-4-thione
CID 106794207
4-(2-methoxy-4-methylphenyl)-7-methyl-2H-phthalazin-1-one
CID 166151476
5-bromo-2-(4-chloro-2-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 106819074

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-methoxy-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one (CID 136696949) is 2-(2-methoxy-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-methoxy-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-methoxy-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one is COc1cc(C)ccc1-c1nc(C)c(C(C)C)c(=O)[nH]1.
What is the InChIKey of 2-(2-methoxy-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is ZZYMGDMPMQESKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-9(2)14-11(4)17-15(18-16(14)19)12-7-6-10(3)8-13(12)20-5/h6-9H,1-5H3,(H,17,18,19).
What are the key properties of 2-(2-methoxy-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one?
2-(2-methoxy-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 272.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136696949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).