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

C25H33N5O4S — CID 59447024

IUPAC6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(2-oxopropylsulfamoyl)phenyl]pyrimidine-4-carboxamide
SMILESCC(=O)CNS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1
InChIInChI=1S/C25H33N5O4S/c1-17-12-21(35(33,34)28-14-18(2)31)10-11-22(17)29-25(32)23-13-24(27-16-26-23)30(15-19-8-9-19)20-6-4-3-5-7-20/h10-13,16,19-20,28H,3-9,14-15H2,1-2H3,(H,29,32)
InChIKeyFOHCVFMHBZWCFC-UHFFFAOYSA-N
MW499.64 g/mol
LogP3.45
Rot. Bonds10

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

6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(2-oxopropylsulfamoyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 59447024) has the molecular formula C25H33N5O4S and a molecular weight of 499.64 g/mol. Its IUPAC name is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(2-oxopropylsulfamoyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(2-oxopropylsulfamoyl)phenyl]pyrimidine-4-carboxamide
PubChem CID59447024
Molecular FormulaC25H33N5O4S
Molecular Weight499.64 g/mol
Exact Mass499.23
IUPAC Name6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(2-oxopropylsulfamoyl)phenyl]pyrimidine-4-carboxamide
SMILESCC(=O)CNS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1
InChIInChI=1S/C25H33N5O4S/c1-17-12-21(35(33,34)28-14-18(2)31)10-11-22(17)29-25(32)23-13-24(27-16-26-23)30(15-19-8-9-19)20-6-4-3-5-7-20/h10-13,16,19-20,28H,3-9,14-15H2,1-2H3,(H,29,32)
InChIKeyFOHCVFMHBZWCFC-UHFFFAOYSA-N
XLogP3.45
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.64
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(2-oxopropylsulfamoyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(2-oxopropylsulfamoyl)phenyl]pyrimidine-4-carboxamide (CID 59447024) is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(2-oxopropylsulfamoyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(2-oxopropylsulfamoyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(2-oxopropylsulfamoyl)phenyl]pyrimidine-4-carboxamide is CC(=O)CNS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1.
What is the InChIKey of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(2-oxopropylsulfamoyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is FOHCVFMHBZWCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O4S/c1-17-12-21(35(33,34)28-14-18(2)31)10-11-22(17)29-25(32)23-13-24(27-16-26-23)30(15-19-8-9-19)20-6-4-3-5-7-20/h10-13,16,19-20,28H,3-9,14-15H2,1-2H3,(H,29,32).
What are the key properties of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(2-oxopropylsulfamoyl)phenyl]pyrimidine-4-carboxamide?
6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(2-oxopropylsulfamoyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 499.64 g/mol, XLogP of 3.45, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(2-oxopropylsulfamoyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 59447024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).