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

C13H21N3O3 — CID 71654884

IUPAC5-ethyl-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCNC(=O)n1cc(CC)c(=O)[nH]c1=O
InChIInChI=1S/C13H21N3O3/c1-3-5-6-7-8-14-12(18)16-9-10(4-2)11(17)15-13(16)19/h9H,3-8H2,1-2H3,(H,14,18)(H,15,17,19)
InChIKeyKTQZLYPNFBVPDF-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.24
Rot. Bonds6

About 5-ethyl-N-hexyl-2,4-dioxopyrimidine-1-carboxamide

5-ethyl-N-hexyl-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 71654884) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-ethyl-N-hexyl-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
PubChem CID71654884
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name5-ethyl-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCNC(=O)n1cc(CC)c(=O)[nH]c1=O
InChIInChI=1S/C13H21N3O3/c1-3-5-6-7-8-14-12(18)16-9-10(4-2)11(17)15-13(16)19/h9H,3-8H2,1-2H3,(H,14,18)(H,15,17,19)
InChIKeyKTQZLYPNFBVPDF-UHFFFAOYSA-N
XLogP1.24
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.24
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 5-ethyl-N-hexyl-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of 5-ethyl-N-hexyl-2,4-dioxopyrimidine-1-carboxamide (CID 71654884) is 5-ethyl-N-hexyl-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for 5-ethyl-N-hexyl-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for 5-ethyl-N-hexyl-2,4-dioxopyrimidine-1-carboxamide is CCCCCCNC(=O)n1cc(CC)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-N-hexyl-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is KTQZLYPNFBVPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-5-6-7-8-14-12(18)16-9-10(4-2)11(17)15-13(16)19/h9H,3-8H2,1-2H3,(H,14,18)(H,15,17,19).
What are the key properties of 5-ethyl-N-hexyl-2,4-dioxopyrimidine-1-carboxamide?
5-ethyl-N-hexyl-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-hexyl-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 71654884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).