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

C13H13ClF3N3S — CID 106767352

IUPAC6-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)N(Cc1cccs1)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C13H13ClF3N3S/c1-8(2)20(7-9-4-3-5-21-9)11-6-10(14)18-12(19-11)13(15,16)17/h3-6,8H,7H2,1-2H3
InChIKeyVRNQSXOSSTULJM-UHFFFAOYSA-N
MW335.78 g/mol
LogP4.63
Rot. Bonds4

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

6-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106767352) has the molecular formula C13H13ClF3N3S and a molecular weight of 335.78 g/mol. Its IUPAC name is 6-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106767352
Molecular FormulaC13H13ClF3N3S
Molecular Weight335.78 g/mol
Exact Mass335.05
IUPAC Name6-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)N(Cc1cccs1)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C13H13ClF3N3S/c1-8(2)20(7-9-4-3-5-21-9)11-6-10(14)18-12(19-11)13(15,16)17/h3-6,8H,7H2,1-2H3
InChIKeyVRNQSXOSSTULJM-UHFFFAOYSA-N
XLogP4.63
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.78
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106767352) is 6-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine is CC(C)N(Cc1cccs1)c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 6-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is VRNQSXOSSTULJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3S/c1-8(2)20(7-9-4-3-5-21-9)11-6-10(14)18-12(19-11)13(15,16)17/h3-6,8H,7H2,1-2H3.
What are the key properties of 6-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 335.78 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106767352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).