4-(3-chloro-4-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one

C12H10ClFN2O2 — CID 136769988

IUPAC4-(3-chloro-4-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1nc(-c2ccc(F)c(Cl)c2)cc(=O)[nH]1
InChIInChI=1S/C12H10ClFN2O2/c1-18-6-11-15-10(5-12(17)16-11)7-2-3-9(14)8(13)4-7/h2-5H,6H2,1H3,(H,15,16,17)
InChIKeyYZPOWWXTOUHGSC-UHFFFAOYSA-N
MW268.68 g/mol
LogP2.38
Rot. Bonds3

About 4-(3-chloro-4-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one

4-(3-chloro-4-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 136769988) has the molecular formula C12H10ClFN2O2 and a molecular weight of 268.68 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID136769988
Molecular FormulaC12H10ClFN2O2
Molecular Weight268.68 g/mol
Exact Mass268.04
IUPAC Name4-(3-chloro-4-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1nc(-c2ccc(F)c(Cl)c2)cc(=O)[nH]1
InChIInChI=1S/C12H10ClFN2O2/c1-18-6-11-15-10(5-12(17)16-11)7-2-3-9(14)8(13)4-7/h2-5H,6H2,1H3,(H,15,16,17)
InChIKeyYZPOWWXTOUHGSC-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-(4-chloro-2-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136955655
2-(methoxymethyl)-4-(3,4,5-trifluorophenyl)-1H-pyrimidin-6-one
CID 136692234
3-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)-1H-1,2,4-triazole
CID 119070580
2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136691964
2-(methoxymethyl)-4-quinolin-7-yl-1H-pyrimidin-6-one
CID 136769647
2-(chloromethyl)-4-(4-chlorophenyl)-1H-pyrimidin-6-one
CID 137119595
2-ethyl-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136823700
2-(chloromethyl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one
CID 137119593
2-(3-chloro-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771836
4-(3,5-dichlorophenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one
CID 136770420
2-(chloromethyl)-4-(4-methylphenyl)-1H-pyrimidin-6-one
CID 137119592
4-(3-chloro-4-fluorophenyl)-6-methoxypyrimidin-2-amine
CID 114052976

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one (CID 136769988) is 4-(3-chloro-4-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one is COCc1nc(-c2ccc(F)c(Cl)c2)cc(=O)[nH]1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is YZPOWWXTOUHGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2/c1-18-6-11-15-10(5-12(17)16-11)7-2-3-9(14)8(13)4-7/h2-5H,6H2,1H3,(H,15,16,17).
What are the key properties of 4-(3-chloro-4-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one?
4-(3-chloro-4-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-(3-chloro-4-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136769988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).