5-(3-hydroxyprop-1-ynyl)-1H-pyrimidin-2-one

C7H6N2O2 — CID 169485818

IUPAC5-(3-hydroxyprop-1-ynyl)-1H-pyrimidin-2-one
SMILESO=c1ncc(C#CCO)c[nH]1
InChIInChI=1S/C7H6N2O2/c10-3-1-2-6-4-8-7(11)9-5-6/h4-5,10H,3H2,(H,8,9,11)
InChIKeyJSDGCIQWTFEKSI-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.89
Rot. Bonds

About 5-(3-hydroxyprop-1-ynyl)-1H-pyrimidin-2-one

5-(3-hydroxyprop-1-ynyl)-1H-pyrimidin-2-one (PubChem CID 169485818) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-1H-pyrimidin-2-one
PubChem CID169485818
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name5-(3-hydroxyprop-1-ynyl)-1H-pyrimidin-2-one
SMILESO=c1ncc(C#CCO)c[nH]1
InChIInChI=1S/C7H6N2O2/c10-3-1-2-6-4-8-7(11)9-5-6/h4-5,10H,3H2,(H,8,9,11)
InChIKeyJSDGCIQWTFEKSI-UHFFFAOYSA-N
XLogP-0.89
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-1H-pyrimidin-2-one?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-1H-pyrimidin-2-one (CID 169485818) is 5-(3-hydroxyprop-1-ynyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-1H-pyrimidin-2-one?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-1H-pyrimidin-2-one is O=c1ncc(C#CCO)c[nH]1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-1H-pyrimidin-2-one?
The InChIKey is JSDGCIQWTFEKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c10-3-1-2-6-4-8-7(11)9-5-6/h4-5,10H,3H2,(H,8,9,11).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-1H-pyrimidin-2-one?
5-(3-hydroxyprop-1-ynyl)-1H-pyrimidin-2-one has a molecular weight of 150.14 g/mol, XLogP of -0.89, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 169485818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).