2-chloro-4-(3-fluoro-2-methylphenyl)-6-methylpyrimidine

C12H10ClFN2 — CID 115502925

IUPAC2-chloro-4-(3-fluoro-2-methylphenyl)-6-methylpyrimidine
SMILESCc1cc(-c2cccc(F)c2C)nc(Cl)n1
InChIInChI=1S/C12H10ClFN2/c1-7-6-11(16-12(13)15-7)9-4-3-5-10(14)8(9)2/h3-6H,1-2H3
InChIKeyJDSWTAUNFBWASA-UHFFFAOYSA-N
MW236.68 g/mol
LogP3.55
Rot. Bonds1

About 2-chloro-4-(3-fluoro-2-methylphenyl)-6-methylpyrimidine

2-chloro-4-(3-fluoro-2-methylphenyl)-6-methylpyrimidine (PubChem CID 115502925) has the molecular formula C12H10ClFN2 and a molecular weight of 236.68 g/mol. Its IUPAC name is 2-chloro-4-(3-fluoro-2-methylphenyl)-6-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3-fluoro-2-methylphenyl)-6-methylpyrimidine
PubChem CID115502925
Molecular FormulaC12H10ClFN2
Molecular Weight236.68 g/mol
Exact Mass236.05
IUPAC Name2-chloro-4-(3-fluoro-2-methylphenyl)-6-methylpyrimidine
SMILESCc1cc(-c2cccc(F)c2C)nc(Cl)n1
InChIInChI=1S/C12H10ClFN2/c1-7-6-11(16-12(13)15-7)9-4-3-5-10(14)8(9)2/h3-6H,1-2H3
InChIKeyJDSWTAUNFBWASA-UHFFFAOYSA-N
XLogP3.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-(2-chlorophenyl)-6-methylpyrimidine
CID 79073157
2-tert-butyl-4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine
CID 115502930
4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine
CID 115502919
4-(3-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 106520134
4-chloro-2-(3-fluoro-2-methylphenyl)-1,3-thiazole
CID 83158562
2-chloro-4-(2,6-dimethoxyphenyl)-6-methylpyrimidine
CID 116811184
4-chloro-6-(2,3-difluorophenyl)-2-methylpyrimidine
CID 22599696
4-(3-fluoro-2-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769751
3-(2-chloro-6-methylpyrimidin-4-yl)-1-methylindole
CID 116897369
4-chloro-6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidine
CID 14623118
1-fluoro-3-(4-fluorophenyl)-2-methylbenzene
CID 46313945
2-chloro-4-methyl-6-pyrimidin-5-ylpyrimidine
CID 79072665

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-fluoro-2-methylphenyl)-6-methylpyrimidine?
The IUPAC name of 2-chloro-4-(3-fluoro-2-methylphenyl)-6-methylpyrimidine (CID 115502925) is 2-chloro-4-(3-fluoro-2-methylphenyl)-6-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-(3-fluoro-2-methylphenyl)-6-methylpyrimidine?
The canonical SMILES for 2-chloro-4-(3-fluoro-2-methylphenyl)-6-methylpyrimidine is Cc1cc(-c2cccc(F)c2C)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(3-fluoro-2-methylphenyl)-6-methylpyrimidine?
The InChIKey is JDSWTAUNFBWASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2/c1-7-6-11(16-12(13)15-7)9-4-3-5-10(14)8(9)2/h3-6H,1-2H3.
What are the key properties of 2-chloro-4-(3-fluoro-2-methylphenyl)-6-methylpyrimidine?
2-chloro-4-(3-fluoro-2-methylphenyl)-6-methylpyrimidine has a molecular weight of 236.68 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-fluoro-2-methylphenyl)-6-methylpyrimidine is sourced from PubChem (CID 115502925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).