6-[cyclohexyl(methyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide

C19H25N5O3S — CID 25182766

IUPAC6-[cyclohexyl(methyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(N(C)C2CCCCC2)ncn1
InChIInChI=1S/C19H25N5O3S/c1-13-10-15(28(20,26)27)8-9-16(13)23-19(25)17-11-18(22-12-21-17)24(2)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,23,25)(H2,20,26,27)
InChIKeyPPISAGBFBKINCJ-UHFFFAOYSA-N
MW403.51 g/mol
LogP2.45
Rot. Bonds5

About 6-[cyclohexyl(methyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide

6-[cyclohexyl(methyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide (PubChem CID 25182766) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is 6-[cyclohexyl(methyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[cyclohexyl(methyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
PubChem CID25182766
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC Name6-[cyclohexyl(methyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(N(C)C2CCCCC2)ncn1
InChIInChI=1S/C19H25N5O3S/c1-13-10-15(28(20,26)27)8-9-16(13)23-19(25)17-11-18(22-12-21-17)24(2)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,23,25)(H2,20,26,27)
InChIKeyPPISAGBFBKINCJ-UHFFFAOYSA-N
XLogP2.45
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(methyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[cyclohexyl(methyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide (CID 25182766) is 6-[cyclohexyl(methyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[cyclohexyl(methyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[cyclohexyl(methyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide is Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(N(C)C2CCCCC2)ncn1.
What is the InChIKey of 6-[cyclohexyl(methyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide?
The InChIKey is PPISAGBFBKINCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-13-10-15(28(20,26)27)8-9-16(13)23-19(25)17-11-18(22-12-21-17)24(2)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,23,25)(H2,20,26,27).
What are the key properties of 6-[cyclohexyl(methyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide?
6-[cyclohexyl(methyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 2.45, 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-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 25182766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).