4-phenyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine

C16H12F3N3S — CID 4575362

IUPAC4-phenyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2ccccc2)nc(NCc2cccs2)n1
InChIInChI=1S/C16H12F3N3S/c17-16(18,19)14-9-13(11-5-2-1-3-6-11)21-15(22-14)20-10-12-7-4-8-23-12/h1-9H,10H2,(H,20,21,22)
InChIKeyMAGRYKCIBXUZJH-UHFFFAOYSA-N
MW335.35 g/mol
LogP4.84
Rot. Bonds4

About 4-phenyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine

4-phenyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 4575362) has the molecular formula C16H12F3N3S and a molecular weight of 335.35 g/mol. Its IUPAC name is 4-phenyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-phenyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID4575362
Molecular FormulaC16H12F3N3S
Molecular Weight335.35 g/mol
Exact Mass335.07
IUPAC Name4-phenyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2ccccc2)nc(NCc2cccs2)n1
InChIInChI=1S/C16H12F3N3S/c17-16(18,19)14-9-13(11-5-2-1-3-6-11)21-15(22-14)20-10-12-7-4-8-23-12/h1-9H,10H2,(H,20,21,22)
InChIKeyMAGRYKCIBXUZJH-UHFFFAOYSA-N
XLogP4.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-N-(thiophen-2-ylmethyl)-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

Related Compounds

N-[(thiophen-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 3235425
Benzyl-(2-thiophen-2-yl-quinazolin-4-yl)-amine
CID 2573787
Pyrrolidine-constrained phenethylamine 29b
CID 23647105
N-benzyl-4-(4-(methylsulfonyl)phenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 9931215
N-(4-fluorobenzyl)-4-(4-(methylsulfonyl)phenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 10180742
N-sec-butyl-4-(4-(methylsulfonyl)phenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 45268661
Stk090461
CID 2354999
N4-[3-(dimethylamino)propyl]-N2-methyl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 76328815
2-(4-Methylpiperazin-1-yl)-4-thiophen-2-yl-6-thiophen-3-ylpyrimidine
CID 10712354
N-(3-methylphenyl)-4-thiophen-2-ylpyrimidin-2-amine
CID 14347006
2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 24205505
1-(6-Thiophen-3-ylpyrimidin-4-yl)-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 44440645

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-phenyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 4575362) is 4-phenyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-phenyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-phenyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cc(-c2ccccc2)nc(NCc2cccs2)n1.
What is the InChIKey of 4-phenyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is MAGRYKCIBXUZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3S/c17-16(18,19)14-9-13(11-5-2-1-3-6-11)21-15(22-14)20-10-12-7-4-8-23-12/h1-9H,10H2,(H,20,21,22).
What are the key properties of 4-phenyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-phenyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 335.35 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 4575362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).