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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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).