N-[(4-chlorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine

C16H11ClF3N3O — CID 3249260

IUPACN-[(4-chlorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2ccco2)nc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H11ClF3N3O/c17-11-5-3-10(4-6-11)9-21-15-22-12(13-2-1-7-24-13)8-14(23-15)16(18,19)20/h1-8H,9H2,(H,21,22,23)
InChIKeyOIEOWSSHDYBEKX-UHFFFAOYSA-N
MW353.73 g/mol
LogP5.02
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine

N-[(4-chlorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 3249260) has the molecular formula C16H11ClF3N3O and a molecular weight of 353.73 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID3249260
Molecular FormulaC16H11ClF3N3O
Molecular Weight353.73 g/mol
Exact Mass353.05
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2ccco2)nc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H11ClF3N3O/c17-11-5-3-10(4-6-11)9-21-15-22-12(13-2-1-7-24-13)8-14(23-15)16(18,19)20/h1-8H,9H2,(H,21,22,23)
InChIKeyOIEOWSSHDYBEKX-UHFFFAOYSA-N
XLogP5.02
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.73
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-chlorophenyl)methyl]-4-(furan-2-yl)-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-chlorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 3249260) is N-[(4-chlorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cc(-c2ccco2)nc(NCc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is OIEOWSSHDYBEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O/c17-11-5-3-10(4-6-11)9-21-15-22-12(13-2-1-7-24-13)8-14(23-15)16(18,19)20/h1-8H,9H2,(H,21,22,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
N-[(4-chlorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 353.73 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 3249260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).