N-cyclohexyl-4-(4-methylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine

C19H22F3N3O3S — CID 45267715

IUPACN-cyclohexyl-4-(4-methylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cc(OCC(F)(F)F)nc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C19H22F3N3O3S/c1-29(26,27)15-9-7-13(8-10-15)16-11-17(28-12-19(20,21)22)25-18(24-16)23-14-5-3-2-4-6-14/h7-11,14H,2-6,12H2,1H3,(H,23,24,25)
InChIKeyDRPHXFXXVMZXSP-UHFFFAOYSA-N
MW429.46 g/mol
LogP4.23
Rot. Bonds6

About N-cyclohexyl-4-(4-methylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine

N-cyclohexyl-4-(4-methylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine (PubChem CID 45267715) has the molecular formula C19H22F3N3O3S and a molecular weight of 429.46 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-methylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-methylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
PubChem CID45267715
Molecular FormulaC19H22F3N3O3S
Molecular Weight429.46 g/mol
Exact Mass429.13
IUPAC NameN-cyclohexyl-4-(4-methylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cc(OCC(F)(F)F)nc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C19H22F3N3O3S/c1-29(26,27)15-9-7-13(8-10-15)16-11-17(28-12-19(20,21)22)25-18(24-16)23-14-5-3-2-4-6-14/h7-11,14H,2-6,12H2,1H3,(H,23,24,25)
InChIKeyDRPHXFXXVMZXSP-UHFFFAOYSA-N
XLogP4.23
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-4-(4-methylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)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

Related Compounds

4-(111C)methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 168291294
4-(4-(methylsulfonyl)phenyl)-N-(tetrahydro-2H-pyran-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 9822357
4-(4-(Methylsulfonyl)phenyl)-2-(p-tolyloxy)-6-(trifluoromethyl)pyrimidine
CID 10476542
[6-(3-Methanesulfonyl-phenyl)-2-methoxy-pyrimidin-4-yl]-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 11582363
N-[(4-methoxyphenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 44456689
N,5-bis(4-methylsulfonylphenyl)-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 44532584
4-(4-methylsulfonylphenyl)-N-[(1R,2R)-2-phenylmethoxycyclohexyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 44532636
N,N-bis[(2,3-difluorophenyl)methyl]-4-(4-methylsulfonylphenyl)-6-propan-2-yloxypyrimidin-2-amine
CID 44532673
4-(4-(Methylsulfonyl)phenyl)-2-(m-tolyloxy)-6-(trifluoromethyl)pyrimidine
CID 45271998
N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 1118003
4-methyl-N-[2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyethyl]benzenesulfonamide
CID 1597711
US9670214, Table 16.6
CID 42635094

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-methylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-4-(4-methylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine (CID 45267715) is N-cyclohexyl-4-(4-methylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-(4-methylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-4-(4-methylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine is CS(=O)(=O)c1ccc(-c2cc(OCC(F)(F)F)nc(NC3CCCCC3)n2)cc1.
What is the InChIKey of N-cyclohexyl-4-(4-methylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The InChIKey is DRPHXFXXVMZXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3S/c1-29(26,27)15-9-7-13(8-10-15)16-11-17(28-12-19(20,21)22)25-18(24-16)23-14-5-3-2-4-6-14/h7-11,14H,2-6,12H2,1H3,(H,23,24,25).
What are the key properties of N-cyclohexyl-4-(4-methylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
N-cyclohexyl-4-(4-methylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine has a molecular weight of 429.46 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-methylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine is sourced from PubChem (CID 45267715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).