N-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide

C10H15N3O3 — CID 2149962

IUPACN-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
SMILESCCCCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H15N3O3/c1-2-3-4-11-8(14)5-7-6-9(15)13-10(16)12-7/h6H,2-5H2,1H3,(H,11,14)(H2,12,13,15,16)
InChIKeyZBEZWCWLLSBQLI-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.48
Rot. Bonds5

About N-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide

N-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide (PubChem CID 2149962) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
PubChem CID2149962
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
SMILESCCCCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H15N3O3/c1-2-3-4-11-8(14)5-7-6-9(15)13-10(16)12-7/h6H,2-5H2,1H3,(H,11,14)(H2,12,13,15,16)
InChIKeyZBEZWCWLLSBQLI-UHFFFAOYSA-N
XLogP-0.48
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
The IUPAC name of N-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide (CID 2149962) is N-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
The canonical SMILES for N-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide is CCCCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
The InChIKey is ZBEZWCWLLSBQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-3-4-11-8(14)5-7-6-9(15)13-10(16)12-7/h6H,2-5H2,1H3,(H,11,14)(H2,12,13,15,16).
What are the key properties of N-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
N-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide has a molecular weight of 225.25 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide is sourced from PubChem (CID 2149962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).