4-(3-hydroxypropoxy)-1H-pyrimidin-6-one

C7H10N2O3 — CID 103240812

IUPAC4-(3-hydroxypropoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCCCO)nc[nH]1
InChIInChI=1S/C7H10N2O3/c10-2-1-3-12-7-4-6(11)8-5-9-7/h4-5,10H,1-3H2,(H,8,9,11)
InChIKeyXYWISNCQGQWOLI-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.47
Rot. Bonds4

About 4-(3-hydroxypropoxy)-1H-pyrimidin-6-one

4-(3-hydroxypropoxy)-1H-pyrimidin-6-one (PubChem CID 103240812) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 4-(3-hydroxypropoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-hydroxypropoxy)-1H-pyrimidin-6-one
PubChem CID103240812
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name4-(3-hydroxypropoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCCCO)nc[nH]1
InChIInChI=1S/C7H10N2O3/c10-2-1-3-12-7-4-6(11)8-5-9-7/h4-5,10H,1-3H2,(H,8,9,11)
InChIKeyXYWISNCQGQWOLI-UHFFFAOYSA-N
XLogP-0.47
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
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 4-(3-hydroxypropoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-hydroxypropoxy)-1H-pyrimidin-6-one (CID 103240812) is 4-(3-hydroxypropoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-hydroxypropoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-hydroxypropoxy)-1H-pyrimidin-6-one is O=c1cc(OCCCO)nc[nH]1.
What is the InChIKey of 4-(3-hydroxypropoxy)-1H-pyrimidin-6-one?
The InChIKey is XYWISNCQGQWOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c10-2-1-3-12-7-4-6(11)8-5-9-7/h4-5,10H,1-3H2,(H,8,9,11).
What are the key properties of 4-(3-hydroxypropoxy)-1H-pyrimidin-6-one?
4-(3-hydroxypropoxy)-1H-pyrimidin-6-one has a molecular weight of 170.17 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).