6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine

C12H14F3N5S — CID 106774979

IUPAC6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(Sc2nccn2C)nc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5S/c1-3-4-16-8-7-9(19-10(18-8)12(13,14)15)21-11-17-5-6-20(11)2/h5-7H,3-4H2,1-2H3,(H,16,18,19)
InChIKeyMCYQUWGXXBHLCH-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.20
Rot. Bonds5

About 6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774979) has the molecular formula C12H14F3N5S and a molecular weight of 317.34 g/mol. Its IUPAC name is 6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774979
Molecular FormulaC12H14F3N5S
Molecular Weight317.34 g/mol
Exact Mass317.09
IUPAC Name6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(Sc2nccn2C)nc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5S/c1-3-4-16-8-7-9(19-10(18-8)12(13,14)15)21-11-17-5-6-20(11)2/h5-7H,3-4H2,1-2H3,(H,16,18,19)
InChIKeyMCYQUWGXXBHLCH-UHFFFAOYSA-N
XLogP3.20
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-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 6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774979) is 6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is CCCNc1cc(Sc2nccn2C)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is MCYQUWGXXBHLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5S/c1-3-4-16-8-7-9(19-10(18-8)12(13,14)15)21-11-17-5-6-20(11)2/h5-7H,3-4H2,1-2H3,(H,16,18,19).
What are the key properties of 6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 317.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).