2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine

C13H10Cl2F3N3 — CID 114562389

IUPAC2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(Nc1cc(C(F)(F)F)nc(Cl)n1)c1ccccc1Cl
InChIInChI=1S/C13H10Cl2F3N3/c1-7(8-4-2-3-5-9(8)14)19-11-6-10(13(16,17)18)20-12(15)21-11/h2-7H,1H3,(H,19,20,21)
InChIKeyUVUGTBUXAUYSJG-UHFFFAOYSA-N
MW336.14 g/mol
LogP4.98
Rot. Bonds3

About 2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine

2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114562389) has the molecular formula C13H10Cl2F3N3 and a molecular weight of 336.14 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114562389
Molecular FormulaC13H10Cl2F3N3
Molecular Weight336.14 g/mol
Exact Mass335.02
IUPAC Name2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(Nc1cc(C(F)(F)F)nc(Cl)n1)c1ccccc1Cl
InChIInChI=1S/C13H10Cl2F3N3/c1-7(8-4-2-3-5-9(8)14)19-11-6-10(13(16,17)18)20-12(15)21-11/h2-7H,1H3,(H,19,20,21)
InChIKeyUVUGTBUXAUYSJG-UHFFFAOYSA-N
XLogP4.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.14
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 114562389) is 2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine is CC(Nc1cc(C(F)(F)F)nc(Cl)n1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is UVUGTBUXAUYSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3N3/c1-7(8-4-2-3-5-9(8)14)19-11-6-10(13(16,17)18)20-12(15)21-11/h2-7H,1H3,(H,19,20,21).
What are the key properties of 2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 336.14 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114562389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).