N-(1-hexyl-2-oxopyrimidin-4-yl)imidazole-1-carboxamide

C14H19N5O2 — CID 71039020

IUPACN-(1-hexyl-2-oxopyrimidin-4-yl)imidazole-1-carboxamide
SMILESCCCCCCn1ccc(NC(=O)n2ccnc2)nc1=O
InChIInChI=1S/C14H19N5O2/c1-2-3-4-5-8-18-9-6-12(16-13(18)20)17-14(21)19-10-7-15-11-19/h6-7,9-11H,2-5,8H2,1H3,(H,16,17,20,21)
InChIKeyUHJPQVVUNRGPCE-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.10
Rot. Bonds6

About N-(1-hexyl-2-oxopyrimidin-4-yl)imidazole-1-carboxamide

N-(1-hexyl-2-oxopyrimidin-4-yl)imidazole-1-carboxamide (PubChem CID 71039020) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(1-hexyl-2-oxopyrimidin-4-yl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(1-hexyl-2-oxopyrimidin-4-yl)imidazole-1-carboxamide
PubChem CID71039020
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-(1-hexyl-2-oxopyrimidin-4-yl)imidazole-1-carboxamide
SMILESCCCCCCn1ccc(NC(=O)n2ccnc2)nc1=O
InChIInChI=1S/C14H19N5O2/c1-2-3-4-5-8-18-9-6-12(16-13(18)20)17-14(21)19-10-7-15-11-19/h6-7,9-11H,2-5,8H2,1H3,(H,16,17,20,21)
InChIKeyUHJPQVVUNRGPCE-UHFFFAOYSA-N
XLogP2.10
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]-2-oxopyrimidin-4-yl]imidazole-1-carboxamide
CID 162516483
1-hexyl-4-phenylpyrimidin-2-one
CID 171976054
N-[2,6-di(propan-2-yl)phenyl]imidazole-1-carboxamide
CID 164927407
N-(5-bromo-1-methylpyrazol-3-yl)imidazole-1-carboxamide
CID 58213393
N-octadec-9-enylimidazole-1-carboxamide
CID 54037396
imidazol-1-yl-[4-(4-octylphenyl)phenyl]methanone
CID 15951830
N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]imidazole-1-carboxamide
CID 81257251
imidazol-1-yl-(2-octadecoxyphenyl)methanone
CID 58661296
N-[1-(5-diethoxyphosphorylpent-4-enyl)-2-oxopyrimidin-4-yl]acetamide
CID 173363405
N-[4-(dimethylamino)phenyl]imidazole-1-carboxamide
CID 81257453
1-imidazol-1-ylicosane-1,4-dione
CID 59547612
1-imidazol-1-yl-2-sulfanyloctan-1-one
CID 169101743

Frequently Asked Questions

What is the IUPAC name of N-(1-hexyl-2-oxopyrimidin-4-yl)imidazole-1-carboxamide?
The IUPAC name of N-(1-hexyl-2-oxopyrimidin-4-yl)imidazole-1-carboxamide (CID 71039020) is N-(1-hexyl-2-oxopyrimidin-4-yl)imidazole-1-carboxamide.
What is the SMILES notation for N-(1-hexyl-2-oxopyrimidin-4-yl)imidazole-1-carboxamide?
The canonical SMILES for N-(1-hexyl-2-oxopyrimidin-4-yl)imidazole-1-carboxamide is CCCCCCn1ccc(NC(=O)n2ccnc2)nc1=O.
What is the InChIKey of N-(1-hexyl-2-oxopyrimidin-4-yl)imidazole-1-carboxamide?
The InChIKey is UHJPQVVUNRGPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-2-3-4-5-8-18-9-6-12(16-13(18)20)17-14(21)19-10-7-15-11-19/h6-7,9-11H,2-5,8H2,1H3,(H,16,17,20,21).
What are the key properties of N-(1-hexyl-2-oxopyrimidin-4-yl)imidazole-1-carboxamide?
N-(1-hexyl-2-oxopyrimidin-4-yl)imidazole-1-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hexyl-2-oxopyrimidin-4-yl)imidazole-1-carboxamide is sourced from PubChem (CID 71039020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).