6-[cyclohexyl(methyl)amino]-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide

C19H24N4O3S — CID 59446976

IUPAC6-[cyclohexyl(methyl)amino]-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide
SMILESCN(c1cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)ncn1)C1CCCCC1
InChIInChI=1S/C19H24N4O3S/c1-23(15-6-4-3-5-7-15)18-12-17(20-13-21-18)19(24)22-14-8-10-16(11-9-14)27(2,25)26/h8-13,15H,3-7H2,1-2H3,(H,22,24)
InChIKeyLCBBKSUIEYLBFZ-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.90
Rot. Bonds5

About 6-[cyclohexyl(methyl)amino]-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide

6-[cyclohexyl(methyl)amino]-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide (PubChem CID 59446976) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 6-[cyclohexyl(methyl)amino]-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[cyclohexyl(methyl)amino]-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide
PubChem CID59446976
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name6-[cyclohexyl(methyl)amino]-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide
SMILESCN(c1cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)ncn1)C1CCCCC1
InChIInChI=1S/C19H24N4O3S/c1-23(15-6-4-3-5-7-15)18-12-17(20-13-21-18)19(24)22-14-8-10-16(11-9-14)27(2,25)26/h8-13,15H,3-7H2,1-2H3,(H,22,24)
InChIKeyLCBBKSUIEYLBFZ-UHFFFAOYSA-N
XLogP2.90
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[cyclohexyl(methyl)amino]-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide 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 6-[cyclohexyl(methyl)amino]-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[cyclohexyl(methyl)amino]-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide (CID 59446976) is 6-[cyclohexyl(methyl)amino]-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[cyclohexyl(methyl)amino]-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[cyclohexyl(methyl)amino]-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide is CN(c1cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)ncn1)C1CCCCC1.
What is the InChIKey of 6-[cyclohexyl(methyl)amino]-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide?
The InChIKey is LCBBKSUIEYLBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-23(15-6-4-3-5-7-15)18-12-17(20-13-21-18)19(24)22-14-8-10-16(11-9-14)27(2,25)26/h8-13,15H,3-7H2,1-2H3,(H,22,24).
What are the key properties of 6-[cyclohexyl(methyl)amino]-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide?
6-[cyclohexyl(methyl)amino]-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexyl(methyl)amino]-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 59446976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).