N-(2,4-dioxo-1H-pyrimidin-5-yl)hexa-2,4-dienamide

C10H11N3O3 — CID 2850500

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H11N3O3/c1-2-3-4-5-8(14)12-7-6-11-10(16)13-9(7)15/h2-6H,1H3,(H,12,14)(H2,11,13,15,16)
InChIKeyGTUQYQNDOROIPR-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.13
Rot. Bonds3

About N-(2,4-dioxo-1H-pyrimidin-5-yl)hexa-2,4-dienamide

N-(2,4-dioxo-1H-pyrimidin-5-yl)hexa-2,4-dienamide (PubChem CID 2850500) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-5-yl)hexa-2,4-dienamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)hexa-2,4-dienamide
PubChem CID2850500
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H11N3O3/c1-2-3-4-5-8(14)12-7-6-11-10(16)13-9(7)15/h2-6H,1H3,(H,12,14)(H2,11,13,15,16)
InChIKeyGTUQYQNDOROIPR-UHFFFAOYSA-N
XLogP0.13
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)hexa-2,4-dienamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)hexa-2,4-dienamide (CID 2850500) is N-(2,4-dioxo-1H-pyrimidin-5-yl)hexa-2,4-dienamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)hexa-2,4-dienamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)hexa-2,4-dienamide is CC=CC=CC(=O)Nc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)hexa-2,4-dienamide?
The InChIKey is GTUQYQNDOROIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-2-3-4-5-8(14)12-7-6-11-10(16)13-9(7)15/h2-6H,1H3,(H,12,14)(H2,11,13,15,16).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-5-yl)hexa-2,4-dienamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)hexa-2,4-dienamide has a molecular weight of 221.22 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-5-yl)hexa-2,4-dienamide is sourced from PubChem (CID 2850500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).