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

C11H8Cl2FN3 — CID 63736084

IUPAC6-chloro-N-(2-chloro-4-fluorophenyl)-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1Nc1ccc(F)cc1Cl
InChIInChI=1S/C11H8Cl2FN3/c1-6-10(13)15-5-16-11(6)17-9-3-2-7(14)4-8(9)12/h2-5H,1H3,(H,15,16,17)
InChIKeyJGMUFCOZEVHCMF-UHFFFAOYSA-N
MW272.11 g/mol
LogP3.97
Rot. Bonds2

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

6-chloro-N-(2-chloro-4-fluorophenyl)-5-methylpyrimidin-4-amine (PubChem CID 63736084) has the molecular formula C11H8Cl2FN3 and a molecular weight of 272.11 g/mol. Its IUPAC name is 6-chloro-N-(2-chloro-4-fluorophenyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-chloro-4-fluorophenyl)-5-methylpyrimidin-4-amine
PubChem CID63736084
Molecular FormulaC11H8Cl2FN3
Molecular Weight272.11 g/mol
Exact Mass271.01
IUPAC Name6-chloro-N-(2-chloro-4-fluorophenyl)-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1Nc1ccc(F)cc1Cl
InChIInChI=1S/C11H8Cl2FN3/c1-6-10(13)15-5-16-11(6)17-9-3-2-7(14)4-8(9)12/h2-5H,1H3,(H,15,16,17)
InChIKeyJGMUFCOZEVHCMF-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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Related Compounds

6-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 63728648
N-(4-bromo-2-chlorophenyl)-6-chloro-5-methylpyrimidin-4-amine
CID 55230638
6-chloro-N-(4-fluorophenyl)-5-methylpyrimidin-4-amine
CID 63735765
4-N-(2-chloro-5-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 107531796
N-(2-chloro-4-fluorophenyl)-7-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 50765472
6-chloro-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 63734039
N-(2-chloro-4-fluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80918517
6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine
CID 63735089
N-(2-chloro-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 46362698
6-chloro-N-(2-chloro-5-fluorophenyl)-5-propan-2-ylpyrimidin-4-amine
CID 107530503
6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-amine
CID 63729794
6-chloro-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 63735421

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-chloro-4-fluorophenyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-chloro-4-fluorophenyl)-5-methylpyrimidin-4-amine (CID 63736084) is 6-chloro-N-(2-chloro-4-fluorophenyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-chloro-4-fluorophenyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-chloro-4-fluorophenyl)-5-methylpyrimidin-4-amine is Cc1c(Cl)ncnc1Nc1ccc(F)cc1Cl.
What is the InChIKey of 6-chloro-N-(2-chloro-4-fluorophenyl)-5-methylpyrimidin-4-amine?
The InChIKey is JGMUFCOZEVHCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2FN3/c1-6-10(13)15-5-16-11(6)17-9-3-2-7(14)4-8(9)12/h2-5H,1H3,(H,15,16,17).
What are the key properties of 6-chloro-N-(2-chloro-4-fluorophenyl)-5-methylpyrimidin-4-amine?
6-chloro-N-(2-chloro-4-fluorophenyl)-5-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 6-chloro-N-(2-chloro-4-fluorophenyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 63736084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).