6-benzylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine

C13H12F3N3S — CID 560959

IUPAC6-benzylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nc(N)c(C(F)(F)F)c(SCc2ccccc2)n1
InChIInChI=1S/C13H12F3N3S/c1-8-18-11(17)10(13(14,15)16)12(19-8)20-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,17,18,19)
InChIKeyAALGUWXKEYIPIH-UHFFFAOYSA-N
MW299.32 g/mol
LogP3.68
Rot. Bonds3

About 6-benzylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine

6-benzylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 560959) has the molecular formula C13H12F3N3S and a molecular weight of 299.32 g/mol. Its IUPAC name is 6-benzylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-benzylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID560959
Molecular FormulaC13H12F3N3S
Molecular Weight299.32 g/mol
Exact Mass299.07
IUPAC Name6-benzylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nc(N)c(C(F)(F)F)c(SCc2ccccc2)n1
InChIInChI=1S/C13H12F3N3S/c1-8-18-11(17)10(13(14,15)16)12(19-8)20-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,17,18,19)
InChIKeyAALGUWXKEYIPIH-UHFFFAOYSA-N
XLogP3.68
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-benzylsulfanyl-2-methyl-5-(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-benzylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-benzylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine (CID 560959) is 6-benzylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-benzylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-benzylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine is Cc1nc(N)c(C(F)(F)F)c(SCc2ccccc2)n1.
What is the InChIKey of 6-benzylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is AALGUWXKEYIPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3S/c1-8-18-11(17)10(13(14,15)16)12(19-8)20-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,17,18,19).
What are the key properties of 6-benzylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine?
6-benzylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 299.32 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 560959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).