6-chloro-N-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine

C12H8ClF4N3 — CID 106766917

IUPAC6-chloro-N-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccc(Nc2cc(Cl)nc(C(F)(F)F)n2)c(F)c1
InChIInChI=1S/C12H8ClF4N3/c1-6-2-3-8(7(14)4-6)18-10-5-9(13)19-11(20-10)12(15,16)17/h2-5H,1H3,(H,18,19,20)
InChIKeyBCXVVTWRFNPBRU-UHFFFAOYSA-N
MW305.66 g/mol
LogP4.34
Rot. Bonds2

About 6-chloro-N-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106766917) has the molecular formula C12H8ClF4N3 and a molecular weight of 305.66 g/mol. Its IUPAC name is 6-chloro-N-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106766917
Molecular FormulaC12H8ClF4N3
Molecular Weight305.66 g/mol
Exact Mass305.03
IUPAC Name6-chloro-N-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccc(Nc2cc(Cl)nc(C(F)(F)F)n2)c(F)c1
InChIInChI=1S/C12H8ClF4N3/c1-6-2-3-8(7(14)4-6)18-10-5-9(13)19-11(20-10)12(15,16)17/h2-5H,1H3,(H,18,19,20)
InChIKeyBCXVVTWRFNPBRU-UHFFFAOYSA-N
XLogP4.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.66
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767179
N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 107593354
N-(4-bromo-2-fluorophenyl)-2-tert-butyl-6-chloropyrimidin-4-amine
CID 80948291
6-chloro-N-(3-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766928
N-(2-fluoro-5-methylphenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775814
6-chloro-N-(2-fluoro-5-methylphenyl)-2-methylpyrimidin-4-amine
CID 62481306
N-(5-bromo-2-chlorophenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767723
N-(2-fluoro-4-methylphenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567318
6-chloro-N-(3,5-difluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767003
4-N-(2-bromo-4-methylphenyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770015
6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 87998594
N-(2,4-difluorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775940

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106766917) is 6-chloro-N-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine is Cc1ccc(Nc2cc(Cl)nc(C(F)(F)F)n2)c(F)c1.
What is the InChIKey of 6-chloro-N-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is BCXVVTWRFNPBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF4N3/c1-6-2-3-8(7(14)4-6)18-10-5-9(13)19-11(20-10)12(15,16)17/h2-5H,1H3,(H,18,19,20).
What are the key properties of 6-chloro-N-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 305.66 g/mol, XLogP of 4.34, 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-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106766917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).