6-chloro-N-methyl-N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine

C12H11ClF3N3S — CID 106767452

IUPAC6-chloro-N-methyl-N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(c1cccs1)N(C)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C12H11ClF3N3S/c1-7(8-4-3-5-20-8)19(2)10-6-9(13)17-11(18-10)12(14,15)16/h3-7H,1-2H3
InChIKeyIRQVJQPTGVNXLV-UHFFFAOYSA-N
MW321.76 g/mol
LogP4.41
Rot. Bonds3

About 6-chloro-N-methyl-N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-methyl-N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106767452) has the molecular formula C12H11ClF3N3S and a molecular weight of 321.76 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106767452
Molecular FormulaC12H11ClF3N3S
Molecular Weight321.76 g/mol
Exact Mass321.03
IUPAC Name6-chloro-N-methyl-N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(c1cccs1)N(C)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C12H11ClF3N3S/c1-7(8-4-3-5-20-8)19(2)10-6-9(13)17-11(18-10)12(14,15)16/h3-7H,1-2H3
InChIKeyIRQVJQPTGVNXLV-UHFFFAOYSA-N
XLogP4.41
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106767452) is 6-chloro-N-methyl-N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine is CC(c1cccs1)N(C)c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 6-chloro-N-methyl-N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is IRQVJQPTGVNXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N3S/c1-7(8-4-3-5-20-8)19(2)10-6-9(13)17-11(18-10)12(14,15)16/h3-7H,1-2H3.
What are the key properties of 6-chloro-N-methyl-N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-methyl-N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 321.76 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106767452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).