1-(2-hydroxypropyl)pyrimidin-2-one

C7H10N2O2 — CID 60878763

IUPAC1-(2-hydroxypropyl)pyrimidin-2-one
SMILESCC(O)Cn1cccnc1=O
InChIInChI=1S/C7H10N2O2/c1-6(10)5-9-4-2-3-8-7(9)11/h2-4,6,10H,5H2,1H3
InChIKeyQIRUJXBHRYOXHG-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.38
Rot. Bonds2

About 1-(2-hydroxypropyl)pyrimidin-2-one

1-(2-hydroxypropyl)pyrimidin-2-one (PubChem CID 60878763) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-hydroxypropyl)pyrimidin-2-one
PubChem CID60878763
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1-(2-hydroxypropyl)pyrimidin-2-one
SMILESCC(O)Cn1cccnc1=O
InChIInChI=1S/C7H10N2O2/c1-6(10)5-9-4-2-3-8-7(9)11/h2-4,6,10H,5H2,1H3
InChIKeyQIRUJXBHRYOXHG-UHFFFAOYSA-N
XLogP-0.38
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)pyrimidin-2-one?
The IUPAC name of 1-(2-hydroxypropyl)pyrimidin-2-one (CID 60878763) is 1-(2-hydroxypropyl)pyrimidin-2-one.
What is the SMILES notation for 1-(2-hydroxypropyl)pyrimidin-2-one?
The canonical SMILES for 1-(2-hydroxypropyl)pyrimidin-2-one is CC(O)Cn1cccnc1=O.
What is the InChIKey of 1-(2-hydroxypropyl)pyrimidin-2-one?
The InChIKey is QIRUJXBHRYOXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-6(10)5-9-4-2-3-8-7(9)11/h2-4,6,10H,5H2,1H3.
What are the key properties of 1-(2-hydroxypropyl)pyrimidin-2-one?
1-(2-hydroxypropyl)pyrimidin-2-one has a molecular weight of 154.17 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)pyrimidin-2-one is sourced from PubChem (CID 60878763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).