6-(cyclohexylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide

C18H23N5O3S — CID 25182756

IUPAC6-(cyclohexylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(NC2CCCCC2)ncn1
InChIInChI=1S/C18H23N5O3S/c1-12-9-14(27(19,25)26)7-8-15(12)23-18(24)16-10-17(21-11-20-16)22-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,23,24)(H2,19,25,26)(H,20,21,22)
InChIKeyUUZYCNGFSOOOSO-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.43
Rot. Bonds5

About 6-(cyclohexylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide

6-(cyclohexylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide (PubChem CID 25182756) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 6-(cyclohexylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclohexylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
PubChem CID25182756
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name6-(cyclohexylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(NC2CCCCC2)ncn1
InChIInChI=1S/C18H23N5O3S/c1-12-9-14(27(19,25)26)7-8-15(12)23-18(24)16-10-17(21-11-20-16)22-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,23,24)(H2,19,25,26)(H,20,21,22)
InChIKeyUUZYCNGFSOOOSO-UHFFFAOYSA-N
XLogP2.43
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclohexylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide (CID 25182756) is 6-(cyclohexylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclohexylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclohexylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide is Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(NC2CCCCC2)ncn1.
What is the InChIKey of 6-(cyclohexylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide?
The InChIKey is UUZYCNGFSOOOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-12-9-14(27(19,25)26)7-8-15(12)23-18(24)16-10-17(21-11-20-16)22-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,23,24)(H2,19,25,26)(H,20,21,22).
What are the key properties of 6-(cyclohexylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide?
6-(cyclohexylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 25182756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).