6-chloro-N-(3-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine

C11H5Cl2F4N3 — CID 106766928

IUPAC6-chloro-N-(3-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFc1c(Cl)cccc1Nc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H5Cl2F4N3/c12-5-2-1-3-6(9(5)14)18-8-4-7(13)19-10(20-8)11(15,16)17/h1-4H,(H,18,19,20)
InChIKeyQTAUXYBKCQZGKZ-UHFFFAOYSA-N
MW326.08 g/mol
LogP4.68
Rot. Bonds2

About 6-chloro-N-(3-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-(3-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106766928) has the molecular formula C11H5Cl2F4N3 and a molecular weight of 326.08 g/mol. Its IUPAC name is 6-chloro-N-(3-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106766928
Molecular FormulaC11H5Cl2F4N3
Molecular Weight326.08 g/mol
Exact Mass324.98
IUPAC Name6-chloro-N-(3-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFc1c(Cl)cccc1Nc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H5Cl2F4N3/c12-5-2-1-3-6(9(5)14)18-8-4-7(13)19-10(20-8)11(15,16)17/h1-4H,(H,18,19,20)
InChIKeyQTAUXYBKCQZGKZ-UHFFFAOYSA-N
XLogP4.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.08
LogP ≤ 54.68
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
6-chloro-N-(3-chloro-2-fluorophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80544765
2-chloro-6-(3-chloro-2-fluoroanilino)pyridine-4-carboxylic acid
CID 43343692
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile
CID 106766987
N-(5-bromo-2-chlorophenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767723
6-chloro-N-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766917
2-tert-butyl-6-chloro-N-(2,3-dichlorophenyl)pyrimidin-4-amine
CID 80948773
6-chloro-N-(3,5-difluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767003
6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 87998594
N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 107593354
2,6-dichloro-N-(2-chlorophenyl)pyrimidin-4-amine
CID 88722654
4-N-(2,6-dichlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772319

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106766928) is 6-chloro-N-(3-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine is Fc1c(Cl)cccc1Nc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 6-chloro-N-(3-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is QTAUXYBKCQZGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2F4N3/c12-5-2-1-3-6(9(5)14)18-8-4-7(13)19-10(20-8)11(15,16)17/h1-4H,(H,18,19,20).
What are the key properties of 6-chloro-N-(3-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-(3-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 326.08 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106766928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).