6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

C12H6ClF6N3 — CID 87998594

IUPAC6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Nc2cc(Cl)nc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H6ClF6N3/c13-8-5-9(22-10(21-8)12(17,18)19)20-7-3-1-6(2-4-7)11(14,15)16/h1-5H,(H,20,21,22)
InChIKeyBXLIAZBLXSAXOP-UHFFFAOYSA-N
MW341.64 g/mol
LogP4.91
Rot. Bonds2

About 6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 87998594) has the molecular formula C12H6ClF6N3 and a molecular weight of 341.64 g/mol. Its IUPAC name is 6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID87998594
Molecular FormulaC12H6ClF6N3
Molecular Weight341.64 g/mol
Exact Mass341.02
IUPAC Name6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Nc2cc(Cl)nc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H6ClF6N3/c13-8-5-9(22-10(21-8)12(17,18)19)20-7-3-1-6(2-4-7)11(14,15)16/h1-5H,(H,20,21,22)
InChIKeyBXLIAZBLXSAXOP-UHFFFAOYSA-N
XLogP4.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 106767240
6-chloro-N-(3,5-difluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767003
6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766967
N-(1,3-benzodioxol-5-yl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766946
6-chloro-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767179
4-N-(4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770133
N-(5-bromo-2-chlorophenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767723
6-chloro-N-(3-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766928
6-chloro-N-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766917
2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 58626080
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile
CID 106766987
6-chloro-N-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715335

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 87998594) is 6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is FC(F)(F)c1ccc(Nc2cc(Cl)nc(C(F)(F)F)n2)cc1.
What is the InChIKey of 6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is BXLIAZBLXSAXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF6N3/c13-8-5-9(22-10(21-8)12(17,18)19)20-7-3-1-6(2-4-7)11(14,15)16/h1-5H,(H,20,21,22).
What are the key properties of 6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 341.64 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 87998594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).