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

C10H13N3O3 — CID 170488334

IUPACN-[4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1c(O)nc[nH]c1=O
InChIInChI=1S/C10H13N3O3/c1-7(14)11-5-3-2-4-8-9(15)12-6-13-10(8)16/h2,4,6H,3,5H2,1H3,(H,11,14)(H2,12,13,15,16)
InChIKeyBWLFWTBZELYXRQ-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.01
Rot. Bonds4

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

N-[4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide (PubChem CID 170488334) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-[4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide
PubChem CID170488334
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC NameN-[4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1c(O)nc[nH]c1=O
InChIInChI=1S/C10H13N3O3/c1-7(14)11-5-3-2-4-8-9(15)12-6-13-10(8)16/h2,4,6H,3,5H2,1H3,(H,11,14)(H2,12,13,15,16)
InChIKeyBWLFWTBZELYXRQ-UHFFFAOYSA-N
XLogP0.01
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide (CID 170488334) is N-[4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide is CC(=O)NCCC=Cc1c(O)nc[nH]c1=O.
What is the InChIKey of N-[4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide?
The InChIKey is BWLFWTBZELYXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-7(14)11-5-3-2-4-8-9(15)12-6-13-10(8)16/h2,4,6H,3,5H2,1H3,(H,11,14)(H2,12,13,15,16).
What are the key properties of N-[4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide?
N-[4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide has a molecular weight of 223.23 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enyl]acetamide is sourced from PubChem (CID 170488334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).