N-[4-(6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide

C10H13N3O2 — CID 170488112

IUPACN-[4-(6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1cnc[nH]c1=O
InChIInChI=1S/C10H13N3O2/c1-8(14)12-5-3-2-4-9-6-11-7-13-10(9)15/h2,4,6-7H,3,5H2,1H3,(H,12,14)(H,11,13,15)
InChIKeyRNCXPZDYWZTXBU-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.31
Rot. Bonds4

About N-[4-(6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide

N-[4-(6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide (PubChem CID 170488112) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-[4-(6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide
PubChem CID170488112
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-[4-(6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1cnc[nH]c1=O
InChIInChI=1S/C10H13N3O2/c1-8(14)12-5-3-2-4-9-6-11-7-13-10(9)15/h2,4,6-7H,3,5H2,1H3,(H,12,14)(H,11,13,15)
InChIKeyRNCXPZDYWZTXBU-UHFFFAOYSA-N
XLogP0.31
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.31
H-Bond Donors ≤ 52
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-[4-(6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide (CID 170488112) is N-[4-(6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide is CC(=O)NCCC=Cc1cnc[nH]c1=O.
What is the InChIKey of N-[4-(6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide?
The InChIKey is RNCXPZDYWZTXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-8(14)12-5-3-2-4-9-6-11-7-13-10(9)15/h2,4,6-7H,3,5H2,1H3,(H,12,14)(H,11,13,15).
What are the key properties of N-[4-(6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide?
N-[4-(6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide has a molecular weight of 207.23 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide is sourced from PubChem (CID 170488112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).