N-butyl-2-(cyclohexylamino)pyrimidine-5-carboxamide

C15H24N4O — CID 109248050

IUPACN-butyl-2-(cyclohexylamino)pyrimidine-5-carboxamide
SMILESCCCCNC(=O)c1cnc(NC2CCCCC2)nc1
InChIInChI=1S/C15H24N4O/c1-2-3-9-16-14(20)12-10-17-15(18-11-12)19-13-7-5-4-6-8-13/h10-11,13H,2-9H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyGWQWWXKKCVBEME-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.75
Rot. Bonds6

About N-butyl-2-(cyclohexylamino)pyrimidine-5-carboxamide

N-butyl-2-(cyclohexylamino)pyrimidine-5-carboxamide (PubChem CID 109248050) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-butyl-2-(cyclohexylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(cyclohexylamino)pyrimidine-5-carboxamide
PubChem CID109248050
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-butyl-2-(cyclohexylamino)pyrimidine-5-carboxamide
SMILESCCCCNC(=O)c1cnc(NC2CCCCC2)nc1
InChIInChI=1S/C15H24N4O/c1-2-3-9-16-14(20)12-10-17-15(18-11-12)19-13-7-5-4-6-8-13/h10-11,13H,2-9H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyGWQWWXKKCVBEME-UHFFFAOYSA-N
XLogP2.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide
CID 20972697
2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251731
2-(cycloheptylamino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109253363
2-(cyclohexylamino)-N,N-dipropylpyrimidine-5-carboxamide
CID 109250532
2-(cycloheptylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256112
2-(cycloheptylamino)-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-5-carboxamide
CID 109251062
N-butyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109248053
N-tert-butyl-2-(cycloheptylamino)pyrimidine-5-carboxamide
CID 109262837
N-butyl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109320611
5-(cyclopentylamino)-N-pentylpyridine-3-carboxamide
CID 109226139
2-(cyclopentylamino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 109249721
5-N-cyclopentyl-3-N-pentylpyridine-3,5-dicarboxamide
CID 109102730

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(cyclohexylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-butyl-2-(cyclohexylamino)pyrimidine-5-carboxamide (CID 109248050) is N-butyl-2-(cyclohexylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-butyl-2-(cyclohexylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-butyl-2-(cyclohexylamino)pyrimidine-5-carboxamide is CCCCNC(=O)c1cnc(NC2CCCCC2)nc1.
What is the InChIKey of N-butyl-2-(cyclohexylamino)pyrimidine-5-carboxamide?
The InChIKey is GWQWWXKKCVBEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-3-9-16-14(20)12-10-17-15(18-11-12)19-13-7-5-4-6-8-13/h10-11,13H,2-9H2,1H3,(H,16,20)(H,17,18,19).
What are the key properties of N-butyl-2-(cyclohexylamino)pyrimidine-5-carboxamide?
N-butyl-2-(cyclohexylamino)pyrimidine-5-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(cyclohexylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109248050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).