6-(cyclohexylamino)-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide

C17H21N5O3S — CID 25182755

IUPAC6-(cyclohexylamino)-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1
InChIInChI=1S/C17H21N5O3S/c18-26(24,25)14-8-6-13(7-9-14)22-17(23)15-10-16(20-11-19-15)21-12-4-2-1-3-5-12/h6-12H,1-5H2,(H,22,23)(H2,18,24,25)(H,19,20,21)
InChIKeyLJJNUBSNBNTKCH-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.12
Rot. Bonds5

About 6-(cyclohexylamino)-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide

6-(cyclohexylamino)-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide (PubChem CID 25182755) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is 6-(cyclohexylamino)-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclohexylamino)-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide
PubChem CID25182755
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC Name6-(cyclohexylamino)-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1
InChIInChI=1S/C17H21N5O3S/c18-26(24,25)14-8-6-13(7-9-14)22-17(23)15-10-16(20-11-19-15)21-12-4-2-1-3-5-12/h6-12H,1-5H2,(H,22,23)(H2,18,24,25)(H,19,20,21)
InChIKeyLJJNUBSNBNTKCH-UHFFFAOYSA-N
XLogP2.12
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.12
H-Bond Donors ≤ 53
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-(cyclohexylamino)-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclohexylamino)-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide (CID 25182755) is 6-(cyclohexylamino)-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclohexylamino)-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclohexylamino)-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1.
What is the InChIKey of 6-(cyclohexylamino)-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide?
The InChIKey is LJJNUBSNBNTKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c18-26(24,25)14-8-6-13(7-9-14)22-17(23)15-10-16(20-11-19-15)21-12-4-2-1-3-5-12/h6-12H,1-5H2,(H,22,23)(H2,18,24,25)(H,19,20,21).
What are the key properties of 6-(cyclohexylamino)-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide?
6-(cyclohexylamino)-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 25182755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).