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

C22H29N5O3S — CID 25182773

IUPAC6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1
InChIInChI=1S/C22H29N5O3S/c1-15-11-18(31(23,29)30)9-10-19(15)26-22(28)20-12-21(25-14-24-20)27(13-16-7-8-16)17-5-3-2-4-6-17/h9-12,14,16-17H,2-8,13H2,1H3,(H,26,28)(H2,23,29,30)
InChIKeyPPJCGPOASWRIPM-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.23
Rot. Bonds7

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

6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide (PubChem CID 25182773) has the molecular formula C22H29N5O3S and a molecular weight of 443.57 g/mol. Its IUPAC name is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
PubChem CID25182773
Molecular FormulaC22H29N5O3S
Molecular Weight443.57 g/mol
Exact Mass443.20
IUPAC Name6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1
InChIInChI=1S/C22H29N5O3S/c1-15-11-18(31(23,29)30)9-10-19(15)26-22(28)20-12-21(25-14-24-20)27(13-16-7-8-16)17-5-3-2-4-6-17/h9-12,14,16-17H,2-8,13H2,1H3,(H,26,28)(H2,23,29,30)
InChIKeyPPJCGPOASWRIPM-UHFFFAOYSA-N
XLogP3.23
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide (CID 25182773) is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide is Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1.
What is the InChIKey of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide?
The InChIKey is PPJCGPOASWRIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3S/c1-15-11-18(31(23,29)30)9-10-19(15)26-22(28)20-12-21(25-14-24-20)27(13-16-7-8-16)17-5-3-2-4-6-17/h9-12,14,16-17H,2-8,13H2,1H3,(H,26,28)(H2,23,29,30).
What are the key properties of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide?
6-[cyclohexyl(cyclopropylmethyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide has a molecular weight of 443.57 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(cyclopropylmethyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 25182773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).