2-chloro-N-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine

C11H5Cl2F4N3 — CID 107368848

IUPAC2-chloro-N-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFc1cc(Cl)cc(Nc2cc(C(F)(F)F)nc(Cl)n2)c1
InChIInChI=1S/C11H5Cl2F4N3/c12-5-1-6(14)3-7(2-5)18-9-4-8(11(15,16)17)19-10(13)20-9/h1-4H,(H,18,19,20)
InChIKeyYPPZLTGKMAMJKL-UHFFFAOYSA-N
MW326.08 g/mol
LogP4.68
Rot. Bonds2

About 2-chloro-N-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine

2-chloro-N-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 107368848) has the molecular formula C11H5Cl2F4N3 and a molecular weight of 326.08 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID107368848
Molecular FormulaC11H5Cl2F4N3
Molecular Weight326.08 g/mol
Exact Mass324.98
IUPAC Name2-chloro-N-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFc1cc(Cl)cc(Nc2cc(C(F)(F)F)nc(Cl)n2)c1
InChIInChI=1S/C11H5Cl2F4N3/c12-5-1-6(14)3-7(2-5)18-9-4-8(11(15,16)17)19-10(13)20-9/h1-4H,(H,18,19,20)
InChIKeyYPPZLTGKMAMJKL-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 2-chloro-N-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 107368848) is 2-chloro-N-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine is Fc1cc(Cl)cc(Nc2cc(C(F)(F)F)nc(Cl)n2)c1.
What is the InChIKey of 2-chloro-N-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is YPPZLTGKMAMJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2F4N3/c12-5-1-6(14)3-7(2-5)18-9-4-8(11(15,16)17)19-10(13)20-9/h1-4H,(H,18,19,20).
What are the key properties of 2-chloro-N-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-(3-chloro-5-fluorophenyl)-6-(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 2-chloro-N-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 107368848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).