N-(3-methylsulfanylphenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

C17H13F3N4S — CID 22732368

IUPACN-(3-methylsulfanylphenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCSc1cccc(Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)c1
InChIInChI=1S/C17H13F3N4S/c1-25-12-6-4-5-11(9-12)22-15-10-14(17(18,19)20)23-16(24-15)13-7-2-3-8-21-13/h2-10H,1H3,(H,22,23,24)
InChIKeyWUHCPTLUDHTIFP-UHFFFAOYSA-N
MW362.38 g/mol
LogP5.02
Rot. Bonds4

About N-(3-methylsulfanylphenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-(3-methylsulfanylphenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 22732368) has the molecular formula C17H13F3N4S and a molecular weight of 362.38 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID22732368
Molecular FormulaC17H13F3N4S
Molecular Weight362.38 g/mol
Exact Mass362.08
IUPAC NameN-(3-methylsulfanylphenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCSc1cccc(Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)c1
InChIInChI=1S/C17H13F3N4S/c1-25-12-6-4-5-11(9-12)22-15-10-14(17(18,19)20)23-16(24-15)13-7-2-3-8-21-13/h2-10H,1H3,(H,22,23,24)
InChIKeyWUHCPTLUDHTIFP-UHFFFAOYSA-N
XLogP5.02
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.38
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-methylsulfanylphenyl)-2-pyridin-2-yl-6-(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 N-(3-methylsulfanylphenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(3-methylsulfanylphenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 22732368) is N-(3-methylsulfanylphenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is CSc1cccc(Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is WUHCPTLUDHTIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4S/c1-25-12-6-4-5-11(9-12)22-15-10-14(17(18,19)20)23-16(24-15)13-7-2-3-8-21-13/h2-10H,1H3,(H,22,23,24).
What are the key properties of N-(3-methylsulfanylphenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-(3-methylsulfanylphenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 362.38 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 22732368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).