N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine

C17H10Cl2F3N3 — CID 1419469

IUPACN,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H10Cl2F3N3/c18-11-3-1-10(2-4-11)14-9-15(17(20,21)22)25-16(24-14)23-13-7-5-12(19)6-8-13/h1-9H,(H,23,24,25)
InChIKeyYBOKJOWTIFPIMK-UHFFFAOYSA-N
MW384.19 g/mol
LogP6.21
Rot. Bonds3

About N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine

N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 1419469) has the molecular formula C17H10Cl2F3N3 and a molecular weight of 384.19 g/mol. Its IUPAC name is N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID1419469
Molecular FormulaC17H10Cl2F3N3
Molecular Weight384.19 g/mol
Exact Mass383.02
IUPAC NameN,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H10Cl2F3N3/c18-11-3-1-10(2-4-11)14-9-15(17(20,21)22)25-16(24-14)23-13-7-5-12(19)6-8-13/h1-9H,(H,23,24,25)
InChIKeyYBOKJOWTIFPIMK-UHFFFAOYSA-N
XLogP6.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.19
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 1419469) is N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is YBOKJOWTIFPIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F3N3/c18-11-3-1-10(2-4-11)14-9-15(17(20,21)22)25-16(24-14)23-13-7-5-12(19)6-8-13/h1-9H,(H,23,24,25).
What are the key properties of N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 384.19 g/mol, XLogP of 6.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 1419469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).