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

C9H13N3O3 — CID 71655044

IUPACN-butyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCNC(=O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-2-3-5-10-8(14)12-6-4-7(13)11-9(12)15/h4,6H,2-3,5H2,1H3,(H,10,14)(H,11,13,15)
InChIKeyWHXBXWBJILSECA-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.11
Rot. Bonds3

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

N-butyl-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 71655044) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-butyl-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-2,4-dioxopyrimidine-1-carboxamide
PubChem CID71655044
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-butyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCNC(=O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-2-3-5-10-8(14)12-6-4-7(13)11-9(12)15/h4,6H,2-3,5H2,1H3,(H,10,14)(H,11,13,15)
InChIKeyWHXBXWBJILSECA-UHFFFAOYSA-N
XLogP-0.11
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.11
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-butyl-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-butyl-2,4-dioxopyrimidine-1-carboxamide (CID 71655044) is N-butyl-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-butyl-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-butyl-2,4-dioxopyrimidine-1-carboxamide is CCCCNC(=O)n1ccc(=O)[nH]c1=O.
What is the InChIKey of N-butyl-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is WHXBXWBJILSECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-2-3-5-10-8(14)12-6-4-7(13)11-9(12)15/h4,6H,2-3,5H2,1H3,(H,10,14)(H,11,13,15).
What are the key properties of N-butyl-2,4-dioxopyrimidine-1-carboxamide?
N-butyl-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 71655044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).