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

C21H29N5O3S — CID 25182782

IUPAC6-[cyclohexyl(propyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
SMILESCCCN(c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1)C1CCCCC1
InChIInChI=1S/C21H29N5O3S/c1-3-11-26(16-7-5-4-6-8-16)20-13-19(23-14-24-20)21(27)25-18-10-9-17(12-15(18)2)30(22,28)29/h9-10,12-14,16H,3-8,11H2,1-2H3,(H,25,27)(H2,22,28,29)
InChIKeyWJNRZOPOVIDXMH-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.23
Rot. Bonds7

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

6-[cyclohexyl(propyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide (PubChem CID 25182782) has the molecular formula C21H29N5O3S and a molecular weight of 431.56 g/mol. Its IUPAC name is 6-[cyclohexyl(propyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[cyclohexyl(propyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
PubChem CID25182782
Molecular FormulaC21H29N5O3S
Molecular Weight431.56 g/mol
Exact Mass431.20
IUPAC Name6-[cyclohexyl(propyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
SMILESCCCN(c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1)C1CCCCC1
InChIInChI=1S/C21H29N5O3S/c1-3-11-26(16-7-5-4-6-8-16)20-13-19(23-14-24-20)21(27)25-18-10-9-17(12-15(18)2)30(22,28)29/h9-10,12-14,16H,3-8,11H2,1-2H3,(H,25,27)(H2,22,28,29)
InChIKeyWJNRZOPOVIDXMH-UHFFFAOYSA-N
XLogP3.23
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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(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
N-(4-(aminomethyl)phenyl)-6-(cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamide
CID 25182902
6-(dipropylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
CID 25182905

Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(propyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[cyclohexyl(propyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide (CID 25182782) is 6-[cyclohexyl(propyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[cyclohexyl(propyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[cyclohexyl(propyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide is CCCN(c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1)C1CCCCC1.
What is the InChIKey of 6-[cyclohexyl(propyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide?
The InChIKey is WJNRZOPOVIDXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3S/c1-3-11-26(16-7-5-4-6-8-16)20-13-19(23-14-24-20)21(27)25-18-10-9-17(12-15(18)2)30(22,28)29/h9-10,12-14,16H,3-8,11H2,1-2H3,(H,25,27)(H2,22,28,29).
What are the key properties of 6-[cyclohexyl(propyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide?
6-[cyclohexyl(propyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide has a molecular weight of 431.56 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexyl(propyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 25182782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).