6-(cyclohexylamino)-N-[4-(methanesulfonamido)phenyl]pyrimidine-4-carboxamide

C18H23N5O3S — CID 25182751

IUPAC6-(cyclohexylamino)-N-[4-(methanesulfonamido)phenyl]pyrimidine-4-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1
InChIInChI=1S/C18H23N5O3S/c1-27(25,26)23-15-9-7-14(8-10-15)22-18(24)16-11-17(20-12-19-16)21-13-5-3-2-4-6-13/h7-13,23H,2-6H2,1H3,(H,22,24)(H,19,20,21)
InChIKeyOSXWBQNYKRPINE-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.85
Rot. Bonds6

About 6-(cyclohexylamino)-N-[4-(methanesulfonamido)phenyl]pyrimidine-4-carboxamide

6-(cyclohexylamino)-N-[4-(methanesulfonamido)phenyl]pyrimidine-4-carboxamide (PubChem CID 25182751) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 6-(cyclohexylamino)-N-[4-(methanesulfonamido)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclohexylamino)-N-[4-(methanesulfonamido)phenyl]pyrimidine-4-carboxamide
PubChem CID25182751
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name6-(cyclohexylamino)-N-[4-(methanesulfonamido)phenyl]pyrimidine-4-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1
InChIInChI=1S/C18H23N5O3S/c1-27(25,26)23-15-9-7-14(8-10-15)22-18(24)16-11-17(20-12-19-16)21-13-5-3-2-4-6-13/h7-13,23H,2-6H2,1H3,(H,22,24)(H,19,20,21)
InChIKeyOSXWBQNYKRPINE-UHFFFAOYSA-N
XLogP2.85
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-N-[4-(methanesulfonamido)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclohexylamino)-N-[4-(methanesulfonamido)phenyl]pyrimidine-4-carboxamide (CID 25182751) is 6-(cyclohexylamino)-N-[4-(methanesulfonamido)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclohexylamino)-N-[4-(methanesulfonamido)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclohexylamino)-N-[4-(methanesulfonamido)phenyl]pyrimidine-4-carboxamide is CS(=O)(=O)Nc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1.
What is the InChIKey of 6-(cyclohexylamino)-N-[4-(methanesulfonamido)phenyl]pyrimidine-4-carboxamide?
The InChIKey is OSXWBQNYKRPINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-27(25,26)23-15-9-7-14(8-10-15)22-18(24)16-11-17(20-12-19-16)21-13-5-3-2-4-6-13/h7-13,23H,2-6H2,1H3,(H,22,24)(H,19,20,21).
What are the key properties of 6-(cyclohexylamino)-N-[4-(methanesulfonamido)phenyl]pyrimidine-4-carboxamide?
6-(cyclohexylamino)-N-[4-(methanesulfonamido)phenyl]pyrimidine-4-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-N-[4-(methanesulfonamido)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 25182751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).