2-(2-chloro-6-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one

C14H15ClN2O2 — CID 136775571

IUPAC2-(2-chloro-6-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2c(Cl)cccc2OC)[nH]c(=O)c1C
InChIInChI=1S/C14H15ClN2O2/c1-4-10-8(2)14(18)17-13(16-10)12-9(15)6-5-7-11(12)19-3/h5-7H,4H2,1-3H3,(H,16,17,18)
InChIKeyQLRUILGAWWVBRA-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.97
Rot. Bonds3

About 2-(2-chloro-6-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one

2-(2-chloro-6-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one (PubChem CID 136775571) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
PubChem CID136775571
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-(2-chloro-6-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2c(Cl)cccc2OC)[nH]c(=O)c1C
InChIInChI=1S/C14H15ClN2O2/c1-4-10-8(2)14(18)17-13(16-10)12-9(15)6-5-7-11(12)19-3/h5-7H,4H2,1-3H3,(H,16,17,18)
InChIKeyQLRUILGAWWVBRA-UHFFFAOYSA-N
XLogP2.97
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichlorophenyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135996634
2-(2-chloro-6-methoxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696391
2-(5-chloro-1-methylimidazol-2-yl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136932082
4-ethyl-2-(2-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136668750
2-(2-chloro-6-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136775591
4-chloro-2-(2-chloro-6-methoxyphenyl)-6-ethyl-5-iodopyrimidine
CID 113456422
2-(2-bromo-5-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136774553
4,5-diamino-2-(2,6-dimethoxyphenyl)-1H-pyrimidin-6-one
CID 152771788
5-bromo-2-(2-chloro-6-methoxyphenyl)-6-ethylpyrimidin-4-amine
CID 104818317
2-[3-(difluoromethyl)phenyl]-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 137012814
2-[2-chloro-6-(2,2,2-trifluoroethoxy)phenyl]-5-ethyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 162565070
5-bromo-2-(3-chloro-2-fluorophenyl)-4-ethyl-1H-pyrimidin-6-one
CID 136987476

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one (CID 136775571) is 2-(2-chloro-6-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one is CCc1nc(-c2c(Cl)cccc2OC)[nH]c(=O)c1C.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one?
The InChIKey is QLRUILGAWWVBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-4-10-8(2)14(18)17-13(16-10)12-9(15)6-5-7-11(12)19-3/h5-7H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one?
2-(2-chloro-6-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one has a molecular weight of 278.74 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136775571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).