6-(2-chloro-4-fluorophenyl)-2,5-dimethylpyrimidin-4-amine

C12H11ClFN3 — CID 113324920

IUPAC6-(2-chloro-4-fluorophenyl)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(N)c(C)c(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C12H11ClFN3/c1-6-11(16-7(2)17-12(6)15)9-4-3-8(14)5-10(9)13/h3-5H,1-2H3,(H2,15,16,17)
InChIKeyLCEGCDIJCZJJBG-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.14
Rot. Bonds1

About 6-(2-chloro-4-fluorophenyl)-2,5-dimethylpyrimidin-4-amine

6-(2-chloro-4-fluorophenyl)-2,5-dimethylpyrimidin-4-amine (PubChem CID 113324920) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 6-(2-chloro-4-fluorophenyl)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chloro-4-fluorophenyl)-2,5-dimethylpyrimidin-4-amine
PubChem CID113324920
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name6-(2-chloro-4-fluorophenyl)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(N)c(C)c(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C12H11ClFN3/c1-6-11(16-7(2)17-12(6)15)9-4-3-8(14)5-10(9)13/h3-5H,1-2H3,(H2,15,16,17)
InChIKeyLCEGCDIJCZJJBG-UHFFFAOYSA-N
XLogP3.14
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chloro-4-fluorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66199197
4-chloro-6-(2-chloro-4-fluorophenyl)-2-methylpyrimidine-5-carbaldehyde
CID 113324917
5-(2-chloro-4-fluorophenyl)-3-cyclopropyl-2-methylimidazol-4-amine
CID 114064546
2,4-diamino-6-(2-chloro-4-fluorophenyl)pyrimidine-5-carbonitrile
CID 169396041
4-N-(2,6-dichloro-4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 83082156
6-(2-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine
CID 105396086
2-(2-chloro-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 62944582
6-(2-chloro-4-fluorophenyl)-N,4,5-trimethylpyridazin-3-amine
CID 113324935
4-(2-chloro-4-fluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine
CID 63036359
2-ethyl-6-(5-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 80977034
6-fluoro-2-methylquinazolin-4-amine
CID 105436760
6-(2-bromo-6-chlorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 114269105

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-fluorophenyl)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(2-chloro-4-fluorophenyl)-2,5-dimethylpyrimidin-4-amine (CID 113324920) is 6-(2-chloro-4-fluorophenyl)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-chloro-4-fluorophenyl)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(2-chloro-4-fluorophenyl)-2,5-dimethylpyrimidin-4-amine is Cc1nc(N)c(C)c(-c2ccc(F)cc2Cl)n1.
What is the InChIKey of 6-(2-chloro-4-fluorophenyl)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is LCEGCDIJCZJJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c1-6-11(16-7(2)17-12(6)15)9-4-3-8(14)5-10(9)13/h3-5H,1-2H3,(H2,15,16,17).
What are the key properties of 6-(2-chloro-4-fluorophenyl)-2,5-dimethylpyrimidin-4-amine?
6-(2-chloro-4-fluorophenyl)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 251.69 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-fluorophenyl)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 113324920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).