N-cyclohexyl-5-methyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

C19H22F3N3O2S — CID 10273161

IUPACN-cyclohexyl-5-methyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1c(-c2ccc(S(C)(=O)=O)cc2)nc(NC2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C19H22F3N3O2S/c1-12-16(13-8-10-15(11-9-13)28(2,26)27)24-18(25-17(12)19(20,21)22)23-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,23,24,25)
InChIKeyBALFQEDEMVBSPI-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.62
Rot. Bonds4

About N-cyclohexyl-5-methyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

N-cyclohexyl-5-methyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 10273161) has the molecular formula C19H22F3N3O2S and a molecular weight of 413.47 g/mol. Its IUPAC name is N-cyclohexyl-5-methyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-methyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID10273161
Molecular FormulaC19H22F3N3O2S
Molecular Weight413.47 g/mol
Exact Mass413.14
IUPAC NameN-cyclohexyl-5-methyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1c(-c2ccc(S(C)(=O)=O)cc2)nc(NC2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C19H22F3N3O2S/c1-12-16(13-8-10-15(11-9-13)28(2,26)27)24-18(25-17(12)19(20,21)22)23-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,23,24,25)
InChIKeyBALFQEDEMVBSPI-UHFFFAOYSA-N
XLogP4.62
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-5-methyl-4-(4-methylsulfonylphenyl)-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 N-cyclohexyl-5-methyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-5-methyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 10273161) is N-cyclohexyl-5-methyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-5-methyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-5-methyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine is Cc1c(-c2ccc(S(C)(=O)=O)cc2)nc(NC2CCCCC2)nc1C(F)(F)F.
What is the InChIKey of N-cyclohexyl-5-methyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is BALFQEDEMVBSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2S/c1-12-16(13-8-10-15(11-9-13)28(2,26)27)24-18(25-17(12)19(20,21)22)23-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,23,24,25).
What are the key properties of N-cyclohexyl-5-methyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
N-cyclohexyl-5-methyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 413.47 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-methyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 10273161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).