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

C18H23N5O3S — CID 25182768

IUPAC6-[cyclohexyl(methyl)amino]-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide
SMILESCN(c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ncn1)C1CCCCC1
InChIInChI=1S/C18H23N5O3S/c1-23(14-5-3-2-4-6-14)17-11-16(20-12-21-17)18(24)22-13-7-9-15(10-8-13)27(19,25)26/h7-12,14H,2-6H2,1H3,(H,22,24)(H2,19,25,26)
InChIKeySTAHAMMHAUKRKR-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.15
Rot. Bonds5

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

6-[cyclohexyl(methyl)amino]-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide (PubChem CID 25182768) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 6-[cyclohexyl(methyl)amino]-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[cyclohexyl(methyl)amino]-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide
PubChem CID25182768
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name6-[cyclohexyl(methyl)amino]-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide
SMILESCN(c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ncn1)C1CCCCC1
InChIInChI=1S/C18H23N5O3S/c1-23(14-5-3-2-4-6-14)17-11-16(20-12-21-17)18(24)22-13-7-9-15(10-8-13)27(19,25)26/h7-12,14H,2-6H2,1H3,(H,22,24)(H2,19,25,26)
InChIKeySTAHAMMHAUKRKR-UHFFFAOYSA-N
XLogP2.15
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N4-Acetylsulfamerazine
CID 67181
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

Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(methyl)amino]-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[cyclohexyl(methyl)amino]-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide (CID 25182768) is 6-[cyclohexyl(methyl)amino]-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[cyclohexyl(methyl)amino]-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[cyclohexyl(methyl)amino]-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide is CN(c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ncn1)C1CCCCC1.
What is the InChIKey of 6-[cyclohexyl(methyl)amino]-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide?
The InChIKey is STAHAMMHAUKRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-23(14-5-3-2-4-6-14)17-11-16(20-12-21-17)18(24)22-13-7-9-15(10-8-13)27(19,25)26/h7-12,14H,2-6H2,1H3,(H,22,24)(H2,19,25,26).
What are the key properties of 6-[cyclohexyl(methyl)amino]-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide?
6-[cyclohexyl(methyl)amino]-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 2.15, 5 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-sulfamoylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 25182768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).