4-chloro-2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidine

C13H12ClFN2O — CID 62319779

IUPAC4-chloro-2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(Cl)nc(-c2ccc(C)c(F)c2)n1
InChIInChI=1S/C13H12ClFN2O/c1-8-3-4-9(5-11(8)15)13-16-10(7-18-2)6-12(14)17-13/h3-6H,7H2,1-2H3
InChIKeyXWLHIUIUWUJLJZ-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.39
Rot. Bonds3

About 4-chloro-2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidine

4-chloro-2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidine (PubChem CID 62319779) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 4-chloro-2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidine
PubChem CID62319779
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name4-chloro-2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(Cl)nc(-c2ccc(C)c(F)c2)n1
InChIInChI=1S/C13H12ClFN2O/c1-8-3-4-9(5-11(8)15)13-16-10(7-18-2)6-12(14)17-13/h3-6H,7H2,1-2H3
InChIKeyXWLHIUIUWUJLJZ-UHFFFAOYSA-N
XLogP3.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-amine
CID 1476795
{6-[(4-Chlorophenyl)sulfanyl]-2-phenyl-4-pyrimidinyl}methyl methyl ether
CID 1479483
N-isopropyl-6-(methoxymethyl)-2-phenyl-4-pyrimidinamine
CID 1476686
N-allyl-6-(methoxymethyl)-2-phenyl-4-pyrimidinamine
CID 3723355
4-Chloro-6-(methoxymethyl)-2-phenylpyrimidine
CID 2763927
5-(3-Chlorophenyl)-6-(ethoxymethyl)pyrimidine-2,4-diamine
CID 309417
Methyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl ether
CID 1476666
Methyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl ether
CID 1476667
6-(methoxymethyl)-2-phenyl-N-propyl-4-pyrimidinamine
CID 4314667
4-Chloro-2-(3-fluorophenyl)-6-methylpyrimidine
CID 43557479
4-(Difluoromethyl)-6-(dimethoxymethyl)-2phenylpyrimidine
CID 138756390
4-(Dimethoxymethyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 138756400

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidine (CID 62319779) is 4-chloro-2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidine is COCc1cc(Cl)nc(-c2ccc(C)c(F)c2)n1.
What is the InChIKey of 4-chloro-2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidine?
The InChIKey is XWLHIUIUWUJLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-8-3-4-9(5-11(8)15)13-16-10(7-18-2)6-12(14)17-13/h3-6H,7H2,1-2H3.
What are the key properties of 4-chloro-2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidine?
4-chloro-2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidine has a molecular weight of 266.70 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 62319779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).