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

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Related Compounds

6-[cyclohexyl(methyl)amino]-N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]pyrimidine-4-carboxamide
CID 25182775
6-methoxy-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide
CID 121167413
4-amino-N-[4-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide
CID 11154269
6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
CID 109341935
6-(cyclohexylamino)-N-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]pyrimidine-4-carboxamide
CID 59447103
4-chloro-N-(4-methylsulfonylphenyl)pyridine-2-carboxamide
CID 9455833
6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[(3-methoxypropanoylamino)methyl]phenyl]pyrimidine-4-carboxamide
CID 59446925
N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 46880877
1-cyclobutyl-3-(4-methylsulfonylphenyl)urea
CID 115617892
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911337
2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid
CID 59447014
[4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea
CID 135231517

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).