2-(4-chloro-2-methoxyphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one

C15H17ClN2O2 — CID 136873196

IUPAC2-(4-chloro-2-methoxyphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCOc1cc(Cl)ccc1-c1nc(CC(C)C)cc(=O)[nH]1
InChIInChI=1S/C15H17ClN2O2/c1-9(2)6-11-8-14(19)18-15(17-11)12-5-4-10(16)7-13(12)20-3/h4-5,7-9H,6H2,1-3H3,(H,17,18,19)
InChIKeyBCLLKENPNKMKCY-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.30
Rot. Bonds4

About 2-(4-chloro-2-methoxyphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one

2-(4-chloro-2-methoxyphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one (PubChem CID 136873196) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxyphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-chloro-2-methoxyphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
PubChem CID136873196
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-(4-chloro-2-methoxyphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCOc1cc(Cl)ccc1-c1nc(CC(C)C)cc(=O)[nH]1
InChIInChI=1S/C15H17ClN2O2/c1-9(2)6-11-8-14(19)18-15(17-11)12-5-4-10(16)7-13(12)20-3/h4-5,7-9H,6H2,1-3H3,(H,17,18,19)
InChIKeyBCLLKENPNKMKCY-UHFFFAOYSA-N
XLogP3.30
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methoxyphenyl)-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one
CID 136873220
3-(4-chloro-2-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136873215
2-(4-chloro-2-methoxyphenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136980758
5-bromo-2-(4-chloro-2-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 106819074
2-(5-chloro-1-methylimidazol-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136932085
2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136930699
2-(4-chloro-2-methoxyphenyl)-4-fluoro-1H-benzimidazole
CID 64723337
2-(4-chloro-2-methoxyphenyl)-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one
CID 19896776
2-(4-chloro-2-methoxyphenyl)-1H-benzimidazol-4-amine
CID 63693175
2-(4-fluoro-3-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136889663
2-(4-chloro-2-methoxyphenyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106820090
2-(4-fluoro-3-methoxyphenyl)-4-propyl-1H-pyrimidin-6-one
CID 136889657

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxyphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-chloro-2-methoxyphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one (CID 136873196) is 2-(4-chloro-2-methoxyphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-chloro-2-methoxyphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-chloro-2-methoxyphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one is COc1cc(Cl)ccc1-c1nc(CC(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-(4-chloro-2-methoxyphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
The InChIKey is BCLLKENPNKMKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-9(2)6-11-8-14(19)18-15(17-11)12-5-4-10(16)7-13(12)20-3/h4-5,7-9H,6H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(4-chloro-2-methoxyphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
2-(4-chloro-2-methoxyphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one has a molecular weight of 292.77 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxyphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136873196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).