2,4-dioxo-N-pentyl-1H-pyrimidine-6-carboxamide

C10H15N3O3 — CID 110698284

IUPAC2,4-dioxo-N-pentyl-1H-pyrimidine-6-carboxamide
SMILESCCCCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H15N3O3/c1-2-3-4-5-11-9(15)7-6-8(14)13-10(16)12-7/h6H,2-5H2,1H3,(H,11,15)(H2,12,13,14,16)
InChIKeyJYUKFJLPAHMFDI-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.02
Rot. Bonds5

About 2,4-dioxo-N-pentyl-1H-pyrimidine-6-carboxamide

2,4-dioxo-N-pentyl-1H-pyrimidine-6-carboxamide (PubChem CID 110698284) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2,4-dioxo-N-pentyl-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-pentyl-1H-pyrimidine-6-carboxamide
PubChem CID110698284
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2,4-dioxo-N-pentyl-1H-pyrimidine-6-carboxamide
SMILESCCCCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H15N3O3/c1-2-3-4-5-11-9(15)7-6-8(14)13-10(16)12-7/h6H,2-5H2,1H3,(H,11,15)(H2,12,13,14,16)
InChIKeyJYUKFJLPAHMFDI-UHFFFAOYSA-N
XLogP-0.02
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 ≤ 5-0.02
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 2,4-dioxo-N-pentyl-1H-pyrimidine-6-carboxamide?
The IUPAC name of 2,4-dioxo-N-pentyl-1H-pyrimidine-6-carboxamide (CID 110698284) is 2,4-dioxo-N-pentyl-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-pentyl-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 2,4-dioxo-N-pentyl-1H-pyrimidine-6-carboxamide is CCCCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2,4-dioxo-N-pentyl-1H-pyrimidine-6-carboxamide?
The InChIKey is JYUKFJLPAHMFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-3-4-5-11-9(15)7-6-8(14)13-10(16)12-7/h6H,2-5H2,1H3,(H,11,15)(H2,12,13,14,16).
What are the key properties of 2,4-dioxo-N-pentyl-1H-pyrimidine-6-carboxamide?
2,4-dioxo-N-pentyl-1H-pyrimidine-6-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-pentyl-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 110698284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).