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

C17H14F3N3OS — CID 2052765

IUPAC4-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(C(F)(F)F)nc(NCc3cccs3)n2)cc1
InChIInChI=1S/C17H14F3N3OS/c1-24-12-6-4-11(5-7-12)14-9-15(17(18,19)20)23-16(22-14)21-10-13-3-2-8-25-13/h2-9H,10H2,1H3,(H,21,22,23)
InChIKeyRTQRFYDCTAKSJF-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.84
Rot. Bonds5

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

4-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 2052765) has the molecular formula C17H14F3N3OS and a molecular weight of 365.38 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID2052765
Molecular FormulaC17H14F3N3OS
Molecular Weight365.38 g/mol
Exact Mass365.08
IUPAC Name4-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(C(F)(F)F)nc(NCc3cccs3)n2)cc1
InChIInChI=1S/C17H14F3N3OS/c1-24-12-6-4-11(5-7-12)14-9-15(17(18,19)20)23-16(22-14)21-10-13-3-2-8-25-13/h2-9H,10H2,1H3,(H,21,22,23)
InChIKeyRTQRFYDCTAKSJF-UHFFFAOYSA-N
XLogP4.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-methoxyphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 2052765) is 4-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine is COc1ccc(-c2cc(C(F)(F)F)nc(NCc3cccs3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is RTQRFYDCTAKSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3OS/c1-24-12-6-4-11(5-7-12)14-9-15(17(18,19)20)23-16(22-14)21-10-13-3-2-8-25-13/h2-9H,10H2,1H3,(H,21,22,23).
What are the key properties of 4-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 365.38 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 2052765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).