4-propoxy-1H-pyrimidin-6-one

C7H10N2O2 — CID 89293896

IUPAC4-propoxy-1H-pyrimidin-6-one
SMILESCCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C7H10N2O2/c1-2-3-11-7-4-6(10)8-5-9-7/h4-5H,2-3H2,1H3,(H,8,9,10)
InChIKeyFDGWTWSJGIIPOE-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.56
Rot. Bonds3

About 4-propoxy-1H-pyrimidin-6-one

4-propoxy-1H-pyrimidin-6-one (PubChem CID 89293896) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 4-propoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-propoxy-1H-pyrimidin-6-one
PubChem CID89293896
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name4-propoxy-1H-pyrimidin-6-one
SMILESCCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C7H10N2O2/c1-2-3-11-7-4-6(10)8-5-9-7/h4-5H,2-3H2,1H3,(H,8,9,10)
InChIKeyFDGWTWSJGIIPOE-UHFFFAOYSA-N
XLogP0.56
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-propoxy-1H-pyrimidin-6-one (CID 89293896) is 4-propoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-propoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-propoxy-1H-pyrimidin-6-one is CCCOc1cc(=O)[nH]cn1.
What is the InChIKey of 4-propoxy-1H-pyrimidin-6-one?
The InChIKey is FDGWTWSJGIIPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-3-11-7-4-6(10)8-5-9-7/h4-5H,2-3H2,1H3,(H,8,9,10).
What are the key properties of 4-propoxy-1H-pyrimidin-6-one?
4-propoxy-1H-pyrimidin-6-one has a molecular weight of 154.17 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 89293896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).