Basic information
- Standard SMILES
COCCNS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1- InChIKey
PIHNHYPEAMHPII-UHFFFAOYSA-N- Molecular formula
- C25H35N5O4S
- Average molar mass
- 501.6 g/mol
Names & identifiers
- Preferred name
- 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-{[(2-methoxyethyl)amino]sulfonyl}-2-methylphenyl)pyrimidine-4-carboxamide
- IUPAC
- 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(2-methoxyethylsulfamoyl)-2-methylphenyl]pyrimidine-4-carboxamide
Names & synonyms
SCHEMBL3024262CHEMBL3984678PIHNHYPEAMHPII-UHFFFAOYSA-NBDBM183706US9150519, I-1076-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-{[(2-methoxyethyl)amino]sulfonyl}-2-methylphenyl)pyrimidine-4-carboxamide
Database identifiers
- PubChem CID
- 59446971
- ChEMBL
CHEMBL3984678
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 781
Related reactions
3 records
Compound notes
Loading…