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

C20H27N5O3S — CID 59446879

IUPAC6-[cyclohexyl(methyl)amino]-N-[4-(ethylsulfamoyl)phenyl]pyrimidine-4-carboxamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)c2cc(N(C)C3CCCCC3)ncn2)cc1
InChIInChI=1S/C20H27N5O3S/c1-3-23-29(27,28)17-11-9-15(10-12-17)24-20(26)18-13-19(22-14-21-18)25(2)16-7-5-4-6-8-16/h9-14,16,23H,3-8H2,1-2H3,(H,24,26)
InChIKeyLYZULORXTSNSIM-UHFFFAOYSA-N
MW417.54 g/mol
LogP2.80
Rot. Bonds7

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

6-[cyclohexyl(methyl)amino]-N-[4-(ethylsulfamoyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 59446879) has the molecular formula C20H27N5O3S and a molecular weight of 417.54 g/mol. Its IUPAC name is 6-[cyclohexyl(methyl)amino]-N-[4-(ethylsulfamoyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[cyclohexyl(methyl)amino]-N-[4-(ethylsulfamoyl)phenyl]pyrimidine-4-carboxamide
PubChem CID59446879
Molecular FormulaC20H27N5O3S
Molecular Weight417.54 g/mol
Exact Mass417.18
IUPAC Name6-[cyclohexyl(methyl)amino]-N-[4-(ethylsulfamoyl)phenyl]pyrimidine-4-carboxamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)c2cc(N(C)C3CCCCC3)ncn2)cc1
InChIInChI=1S/C20H27N5O3S/c1-3-23-29(27,28)17-11-9-15(10-12-17)24-20(26)18-13-19(22-14-21-18)25(2)16-7-5-4-6-8-16/h9-14,16,23H,3-8H2,1-2H3,(H,24,26)
InChIKeyLYZULORXTSNSIM-UHFFFAOYSA-N
XLogP2.80
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(dipropylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
CID 25182905
3-(4-(6-(Cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamido)-3-methylphenylsulfonamido)propanoic acid
CID 25154344
6-(cyclohexylamino)-N-{4-[(methylsulfonyl)amino]phenyl}pyrimidine-4-carboxamide
CID 25182751
6-(cyclohexylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
CID 25182756
6-(cyclohexyl(methyl)amino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
CID 25182766
6-(cyclohexyl(cyclopropylmethyl)amino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
CID 25182773
6-(cyclohexyl(propyl)amino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
CID 25182782
N-({4-[({6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl}carbonyl)amino]-3-methylphenyl}sulfonyl)glycine
CID 25182909
N-[4-(1,1,3,3-tetraoxo-1lambda6,3lambda6,2-benzodithiazol-2-yl)phenyl]pyrimidine-4-carboxamide
CID 46853682
6-(cyclohexyl(cyclopropylmethyl)amino)-N-(4-(methylsulfonyl)phenyl)pyrimidine-4-carboxamide
CID 46880925
6-(cyclohexyl(cyclopropylmethyl)amino)-N-(2-methyl-4-(N-methylsulfamoyl)phenyl)pyrimidine-4-carboxamide
CID 46880964
N-({4-[({6-[(cyclopropylmethyl)(propyl)amino]pyrimidin-4-yl}carbonyl)amino]-3-methylphenyl}sulfonyl)glycine
CID 46881536

Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(methyl)amino]-N-[4-(ethylsulfamoyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[cyclohexyl(methyl)amino]-N-[4-(ethylsulfamoyl)phenyl]pyrimidine-4-carboxamide (CID 59446879) is 6-[cyclohexyl(methyl)amino]-N-[4-(ethylsulfamoyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[cyclohexyl(methyl)amino]-N-[4-(ethylsulfamoyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[cyclohexyl(methyl)amino]-N-[4-(ethylsulfamoyl)phenyl]pyrimidine-4-carboxamide is CCNS(=O)(=O)c1ccc(NC(=O)c2cc(N(C)C3CCCCC3)ncn2)cc1.
What is the InChIKey of 6-[cyclohexyl(methyl)amino]-N-[4-(ethylsulfamoyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is LYZULORXTSNSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3S/c1-3-23-29(27,28)17-11-9-15(10-12-17)24-20(26)18-13-19(22-14-21-18)25(2)16-7-5-4-6-8-16/h9-14,16,23H,3-8H2,1-2H3,(H,24,26).
What are the key properties of 6-[cyclohexyl(methyl)amino]-N-[4-(ethylsulfamoyl)phenyl]pyrimidine-4-carboxamide?
6-[cyclohexyl(methyl)amino]-N-[4-(ethylsulfamoyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 417.54 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexyl(methyl)amino]-N-[4-(ethylsulfamoyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 59446879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).