4-(4-chloro-2-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one

C12H10ClFN2O2 — CID 136955655

IUPAC4-(4-chloro-2-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1nc(-c2ccc(Cl)cc2F)cc(=O)[nH]1
InChIInChI=1S/C12H10ClFN2O2/c1-18-6-11-15-10(5-12(17)16-11)8-3-2-7(13)4-9(8)14/h2-5H,6H2,1H3,(H,15,16,17)
InChIKeyNXHMIKCSLGTNPZ-UHFFFAOYSA-N
MW268.68 g/mol
LogP2.38
Rot. Bonds3

About 4-(4-chloro-2-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one

4-(4-chloro-2-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 136955655) has the molecular formula C12H10ClFN2O2 and a molecular weight of 268.68 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID136955655
Molecular FormulaC12H10ClFN2O2
Molecular Weight268.68 g/mol
Exact Mass268.04
IUPAC Name4-(4-chloro-2-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1nc(-c2ccc(Cl)cc2F)cc(=O)[nH]1
InChIInChI=1S/C12H10ClFN2O2/c1-18-6-11-15-10(5-12(17)16-11)8-3-2-7(13)4-9(8)14/h2-5H,6H2,1H3,(H,15,16,17)
InChIKeyNXHMIKCSLGTNPZ-UHFFFAOYSA-N
XLogP2.38
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.68
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-4-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136769988
4-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136770565
2-(methoxymethyl)-4-(3,4,5-trifluorophenyl)-1H-pyrimidin-6-one
CID 136692234
4-(4-chloro-2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136769719
4-isoquinolin-8-yl-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136770401
2-ethyl-4-(2-fluorophenyl)-1H-pyrimidin-6-one
CID 136692389
2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136691964
4-isoquinolin-4-yl-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136692880
2-(chloromethyl)-4-(3-fluoro-4-pyridinyl)-1H-pyrimidin-6-one
CID 136658243
4-(2,3-difluoro-4-methylphenyl)-2-ethyl-1H-pyrimidin-6-one
CID 136986671
4-butyl-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136805677
4-(2-chloro-4-fluorophenyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137025470

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one (CID 136955655) is 4-(4-chloro-2-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one is COCc1nc(-c2ccc(Cl)cc2F)cc(=O)[nH]1.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is NXHMIKCSLGTNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2/c1-18-6-11-15-10(5-12(17)16-11)8-3-2-7(13)4-9(8)14/h2-5H,6H2,1H3,(H,15,16,17).
What are the key properties of 4-(4-chloro-2-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one?
4-(4-chloro-2-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 268.68 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136955655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).