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

C11H8Cl2FN3 — CID 62477629

IUPAC2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2ccc(F)cc2Cl)nc(Cl)n1
InChIInChI=1S/C11H8Cl2FN3/c1-6-4-10(17-11(13)15-6)16-9-3-2-7(14)5-8(9)12/h2-5H,1H3,(H,15,16,17)
InChIKeyRWJYWDZEONGLRM-UHFFFAOYSA-N
MW272.11 g/mol
LogP3.97
Rot. Bonds2

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

2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylpyrimidin-4-amine (PubChem CID 62477629) has the molecular formula C11H8Cl2FN3 and a molecular weight of 272.11 g/mol. Its IUPAC name is 2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylpyrimidin-4-amine
PubChem CID62477629
Molecular FormulaC11H8Cl2FN3
Molecular Weight272.11 g/mol
Exact Mass271.01
IUPAC Name2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2ccc(F)cc2Cl)nc(Cl)n1
InChIInChI=1S/C11H8Cl2FN3/c1-6-4-10(17-11(13)15-6)16-9-3-2-7(14)5-8(9)12/h2-5H,1H3,(H,15,16,17)
InChIKeyRWJYWDZEONGLRM-UHFFFAOYSA-N
XLogP3.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.11
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylpyrimidin-4-amine (CID 62477629) is 2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylpyrimidin-4-amine is Cc1cc(Nc2ccc(F)cc2Cl)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylpyrimidin-4-amine?
The InChIKey is RWJYWDZEONGLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2FN3/c1-6-4-10(17-11(13)15-6)16-9-3-2-7(14)5-8(9)12/h2-5H,1H3,(H,15,16,17).
What are the key properties of 2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylpyrimidin-4-amine?
2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylpyrimidin-4-amine has a molecular weight of 272.11 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 62477629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).