6-(2-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine

C11H9ClFN3 — CID 105396086

IUPAC6-(2-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine
SMILESCc1c(N)ncnc1-c1cc(F)ccc1Cl
InChIInChI=1S/C11H9ClFN3/c1-6-10(15-5-16-11(6)14)8-4-7(13)2-3-9(8)12/h2-5H,1H3,(H2,14,15,16)
InChIKeyUABYAKCREXHZHB-UHFFFAOYSA-N
MW237.67 g/mol
LogP2.83
Rot. Bonds1

About 6-(2-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine

6-(2-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine (PubChem CID 105396086) has the molecular formula C11H9ClFN3 and a molecular weight of 237.67 g/mol. Its IUPAC name is 6-(2-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine
PubChem CID105396086
Molecular FormulaC11H9ClFN3
Molecular Weight237.67 g/mol
Exact Mass237.05
IUPAC Name6-(2-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine
SMILESCc1c(N)ncnc1-c1cc(F)ccc1Cl
InChIInChI=1S/C11H9ClFN3/c1-6-10(15-5-16-11(6)14)8-4-7(13)2-3-9(8)12/h2-5H,1H3,(H2,14,15,16)
InChIKeyUABYAKCREXHZHB-UHFFFAOYSA-N
XLogP2.83
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.67
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-chloro-5-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 107531796
4-(2-chloro-5-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136770511
6-(2-chloro-5-fluorophenyl)-N,5-diethylpyrimidin-4-amine
CID 105396085
6-(2-chloro-4-fluorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 113324920
4-chloro-6-(2-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 105396018
3-(2-chloro-5-fluorophenyl)-N-methylpyrazin-2-amine
CID 105396110
6-(4-chloro-3-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 82719264
2-chloro-4-(2-chloro-5-fluorophenyl)-5-fluoropyrimidine
CID 105396029
2-(2-chloro-5-fluorophenyl)-3-ethyl-8-fluoroquinoline;7H-purin-6-amine
CID 145483303
4-(5-fluoro-2-methoxyphenyl)-6-methylpyrimidin-5-amine
CID 82390103
6-(2,5-difluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80884389
4-(2-chloro-5-fluorophenyl)aniline
CID 105395647

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine (CID 105396086) is 6-(2-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine is Cc1c(N)ncnc1-c1cc(F)ccc1Cl.
What is the InChIKey of 6-(2-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine?
The InChIKey is UABYAKCREXHZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3/c1-6-10(15-5-16-11(6)14)8-4-7(13)2-3-9(8)12/h2-5H,1H3,(H2,14,15,16).
What are the key properties of 6-(2-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine?
6-(2-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine has a molecular weight of 237.67 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 105396086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).