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

C10H7ClF3N3S — CID 106767142

IUPAC6-chloro-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nc(Cl)cc(NCc2cccs2)n1
InChIInChI=1S/C10H7ClF3N3S/c11-7-4-8(15-5-6-2-1-3-18-6)17-9(16-7)10(12,13)14/h1-4H,5H2,(H,15,16,17)
InChIKeyDCFORABUAYBTMS-UHFFFAOYSA-N
MW293.70 g/mol
LogP3.82
Rot. Bonds3

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

6-chloro-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106767142) has the molecular formula C10H7ClF3N3S and a molecular weight of 293.70 g/mol. Its IUPAC name is 6-chloro-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106767142
Molecular FormulaC10H7ClF3N3S
Molecular Weight293.70 g/mol
Exact Mass293.00
IUPAC Name6-chloro-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nc(Cl)cc(NCc2cccs2)n1
InChIInChI=1S/C10H7ClF3N3S/c11-7-4-8(15-5-6-2-1-3-18-6)17-9(16-7)10(12,13)14/h1-4H,5H2,(H,15,16,17)
InChIKeyDCFORABUAYBTMS-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.70
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106767142) is 6-chloro-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1nc(Cl)cc(NCc2cccs2)n1.
What is the InChIKey of 6-chloro-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is DCFORABUAYBTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N3S/c11-7-4-8(15-5-6-2-1-3-18-6)17-9(16-7)10(12,13)14/h1-4H,5H2,(H,15,16,17).
What are the key properties of 6-chloro-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 293.70 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106767142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).