4-(4-methylsulfonylphenyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine

C15H16F3N3O2S — CID 45273829

IUPAC4-(4-methylsulfonylphenyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCNc1nc(-c2ccc(S(C)(=O)=O)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3O2S/c1-3-8-19-14-20-12(9-13(21-14)15(16,17)18)10-4-6-11(7-5-10)24(2,22)23/h4-7,9H,3,8H2,1-2H3,(H,19,20,21)
InChIKeyBPPJICARWSVVER-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.39
Rot. Bonds5

About 4-(4-methylsulfonylphenyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine

4-(4-methylsulfonylphenyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 45273829) has the molecular formula C15H16F3N3O2S and a molecular weight of 359.37 g/mol. Its IUPAC name is 4-(4-methylsulfonylphenyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylsulfonylphenyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID45273829
Molecular FormulaC15H16F3N3O2S
Molecular Weight359.37 g/mol
Exact Mass359.09
IUPAC Name4-(4-methylsulfonylphenyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCNc1nc(-c2ccc(S(C)(=O)=O)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3O2S/c1-3-8-19-14-20-12(9-13(21-14)15(16,17)18)10-4-6-11(7-5-10)24(2,22)23/h4-7,9H,3,8H2,1-2H3,(H,19,20,21)
InChIKeyBPPJICARWSVVER-UHFFFAOYSA-N
XLogP3.39
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-methylsulfonylphenyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-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 4-(4-methylsulfonylphenyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methylsulfonylphenyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 45273829) is 4-(4-methylsulfonylphenyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylsulfonylphenyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methylsulfonylphenyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine is CCCNc1nc(-c2ccc(S(C)(=O)=O)cc2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(4-methylsulfonylphenyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is BPPJICARWSVVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2S/c1-3-8-19-14-20-12(9-13(21-14)15(16,17)18)10-4-6-11(7-5-10)24(2,22)23/h4-7,9H,3,8H2,1-2H3,(H,19,20,21).
What are the key properties of 4-(4-methylsulfonylphenyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(4-methylsulfonylphenyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 359.37 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylphenyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 45273829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).