N-[4-(1-ethoxyethenyl)-6-oxo-1H-pyrimidin-2-yl]acetamide

C10H13N3O3 — CID 135744007

IUPACN-[4-(1-ethoxyethenyl)-6-oxo-1H-pyrimidin-2-yl]acetamide
SMILESC=C(OCC)c1cc(=O)[nH]c(NC(C)=O)n1
InChIInChI=1S/C10H13N3O3/c1-4-16-6(2)8-5-9(15)13-10(12-8)11-7(3)14/h5H,2,4H2,1,3H3,(H2,11,12,13,14,15)
InChIKeyJTWAOZJSJYIVFC-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.74
Rot. Bonds4

About N-[4-(1-ethoxyethenyl)-6-oxo-1H-pyrimidin-2-yl]acetamide

N-[4-(1-ethoxyethenyl)-6-oxo-1H-pyrimidin-2-yl]acetamide (PubChem CID 135744007) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-[4-(1-ethoxyethenyl)-6-oxo-1H-pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(1-ethoxyethenyl)-6-oxo-1H-pyrimidin-2-yl]acetamide
PubChem CID135744007
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC NameN-[4-(1-ethoxyethenyl)-6-oxo-1H-pyrimidin-2-yl]acetamide
SMILESC=C(OCC)c1cc(=O)[nH]c(NC(C)=O)n1
InChIInChI=1S/C10H13N3O3/c1-4-16-6(2)8-5-9(15)13-10(12-8)11-7(3)14/h5H,2,4H2,1,3H3,(H2,11,12,13,14,15)
InChIKeyJTWAOZJSJYIVFC-UHFFFAOYSA-N
XLogP0.74
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-ethoxyethenyl)-6-oxo-1H-pyrimidin-2-yl]acetamide?
The IUPAC name of N-[4-(1-ethoxyethenyl)-6-oxo-1H-pyrimidin-2-yl]acetamide (CID 135744007) is N-[4-(1-ethoxyethenyl)-6-oxo-1H-pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[4-(1-ethoxyethenyl)-6-oxo-1H-pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[4-(1-ethoxyethenyl)-6-oxo-1H-pyrimidin-2-yl]acetamide is C=C(OCC)c1cc(=O)[nH]c(NC(C)=O)n1.
What is the InChIKey of N-[4-(1-ethoxyethenyl)-6-oxo-1H-pyrimidin-2-yl]acetamide?
The InChIKey is JTWAOZJSJYIVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-4-16-6(2)8-5-9(15)13-10(12-8)11-7(3)14/h5H,2,4H2,1,3H3,(H2,11,12,13,14,15).
What are the key properties of N-[4-(1-ethoxyethenyl)-6-oxo-1H-pyrimidin-2-yl]acetamide?
N-[4-(1-ethoxyethenyl)-6-oxo-1H-pyrimidin-2-yl]acetamide has a molecular weight of 223.23 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-ethoxyethenyl)-6-oxo-1H-pyrimidin-2-yl]acetamide is sourced from PubChem (CID 135744007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).