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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Related Compounds

6-(dipropylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
CID 25182905
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 6
CID 53319075
N-[4-(Pyrimidin-2-ylsulfamoyl)-phenyl]-benzamide
CID 1084460
N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-2-phenylacetamide
CID 1218957
2-methyl-N-[4-({4-[(E)-2-phenylethenyl]pyrimidin-2-yl}sulfamoyl)phenyl]propanamide
CID 5929378
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-3-methylbenzamide
CID 998055
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(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-(aminomethyl)phenyl)-6-(cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamide
CID 25182902

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).