2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidine

C24H25FN2O2S — CID 45271135

IUPAC2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidine
SMILESCS(=O)(=O)c1ccc(-c2cnc(CC3CCCCC3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H25FN2O2S/c1-30(28,29)21-13-9-18(10-14-21)22-16-26-23(15-17-5-3-2-4-6-17)27-24(22)19-7-11-20(25)12-8-19/h7-14,16-17H,2-6,15H2,1H3
InChIKeyKSCDBBDAERUVEP-UHFFFAOYSA-N
MW424.54 g/mol
LogP5.48
Rot. Bonds5

About 2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidine

2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidine (PubChem CID 45271135) has the molecular formula C24H25FN2O2S and a molecular weight of 424.54 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidine
PubChem CID45271135
Molecular FormulaC24H25FN2O2S
Molecular Weight424.54 g/mol
Exact Mass424.16
IUPAC Name2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidine
SMILESCS(=O)(=O)c1ccc(-c2cnc(CC3CCCCC3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H25FN2O2S/c1-30(28,29)21-13-9-18(10-14-21)22-16-26-23(15-17-5-3-2-4-6-17)27-24(22)19-7-11-20(25)12-8-19/h7-14,16-17H,2-6,15H2,1H3
InChIKeyKSCDBBDAERUVEP-UHFFFAOYSA-N
XLogP5.48
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidine 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

(3R,4S)-1-(6-(3-(methylsulfonyl)phenyl)pyrimidin-4-yl)-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 16750059
(3R,4R)-1-(6-(3-(methylsulfonyl)phenyl)pyrimidin-4-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine
CID 16058650
5-(4-{[3,5-Difluoro-4-(methylsulfonyl)benzyl]amino}phenyl)-6-ethylpyrimidine-2,4-diamine
CID 11683469
2,4-Diaminopyrimidine derivative, 13
CID 11690097
N-benzyl-4-(4-(methylsulfonyl)phenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 9931215
N-(4-fluorobenzyl)-4-(4-(methylsulfonyl)phenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 10180742
SB 203580, Sulfone
CID 6610350
1-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2-methyl-1H-imidazole
CID 11121068
Ethyl-{6-[4-(2-isopropyl-phenylsulfanyl)-3-trifluoromethyl-phenyl]-pyrimidin-4-yl}-methyl-amine
CID 21906781
5-(4-(4-(Methylsulfonyl)benzylamino)phenyl)-6-cyclohexylpyrimidine-2,4-diamine
CID 44409667
5-(4-(4-(Methylsulfonyl)benzylamino)phenyl)-6-isopropylpyrimidine-2,4-diamine
CID 44409758
3-(2-Methoxypyrimidin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311217

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidine?
The IUPAC name of 2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidine (CID 45271135) is 2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidine.
What is the SMILES notation for 2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidine?
The canonical SMILES for 2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidine is CS(=O)(=O)c1ccc(-c2cnc(CC3CCCCC3)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidine?
The InChIKey is KSCDBBDAERUVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2S/c1-30(28,29)21-13-9-18(10-14-21)22-16-26-23(15-17-5-3-2-4-6-17)27-24(22)19-7-11-20(25)12-8-19/h7-14,16-17H,2-6,15H2,1H3.
What are the key properties of 2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidine?
2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidine has a molecular weight of 424.54 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidine is sourced from PubChem (CID 45271135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).