N-hexyl-2,4-dioxopyrimidine-1-carboxamide

C11H17N3O3 — CID 10198639

IUPACN-hexyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCNC(=O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-2-3-4-5-7-12-10(16)14-8-6-9(15)13-11(14)17/h6,8H,2-5,7H2,1H3,(H,12,16)(H,13,15,17)
InChIKeyURIQHRVESCIELP-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.67
Rot. Bonds5

About N-hexyl-2,4-dioxopyrimidine-1-carboxamide

N-hexyl-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 10198639) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-hexyl-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-hexyl-2,4-dioxopyrimidine-1-carboxamide
PubChem CID10198639
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-hexyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCNC(=O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-2-3-4-5-7-12-10(16)14-8-6-9(15)13-11(14)17/h6,8H,2-5,7H2,1H3,(H,12,16)(H,13,15,17)
InChIKeyURIQHRVESCIELP-UHFFFAOYSA-N
XLogP0.67
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.67
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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Frequently Asked Questions

What is the IUPAC name of N-hexyl-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-hexyl-2,4-dioxopyrimidine-1-carboxamide (CID 10198639) is N-hexyl-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-hexyl-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-hexyl-2,4-dioxopyrimidine-1-carboxamide is CCCCCCNC(=O)n1ccc(=O)[nH]c1=O.
What is the InChIKey of N-hexyl-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is URIQHRVESCIELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-2-3-4-5-7-12-10(16)14-8-6-9(15)13-11(14)17/h6,8H,2-5,7H2,1H3,(H,12,16)(H,13,15,17).
What are the key properties of N-hexyl-2,4-dioxopyrimidine-1-carboxamide?
N-hexyl-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 239.27 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 10198639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).