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

C13H11ClF3N3S — CID 106767343

IUPAC6-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nc(Cl)cc(N(Cc2cccs2)C2CC2)n1
InChIInChI=1S/C13H11ClF3N3S/c14-10-6-11(19-12(18-10)13(15,16)17)20(8-3-4-8)7-9-2-1-5-21-9/h1-2,5-6,8H,3-4,7H2
InChIKeyDJXTYRGEKSSWTO-UHFFFAOYSA-N
MW333.77 g/mol
LogP4.38
Rot. Bonds4

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

6-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106767343) has the molecular formula C13H11ClF3N3S and a molecular weight of 333.77 g/mol. Its IUPAC name is 6-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106767343
Molecular FormulaC13H11ClF3N3S
Molecular Weight333.77 g/mol
Exact Mass333.03
IUPAC Name6-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nc(Cl)cc(N(Cc2cccs2)C2CC2)n1
InChIInChI=1S/C13H11ClF3N3S/c14-10-6-11(19-12(18-10)13(15,16)17)20(8-3-4-8)7-9-2-1-5-21-9/h1-2,5-6,8H,3-4,7H2
InChIKeyDJXTYRGEKSSWTO-UHFFFAOYSA-N
XLogP4.38
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106767343) is 6-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1nc(Cl)cc(N(Cc2cccs2)C2CC2)n1.
What is the InChIKey of 6-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is DJXTYRGEKSSWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3S/c14-10-6-11(19-12(18-10)13(15,16)17)20(8-3-4-8)7-9-2-1-5-21-9/h1-2,5-6,8H,3-4,7H2.
What are the key properties of 6-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 333.77 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106767343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).