5-(2-hydroxypropoxy)-1H-pyrimidin-2-one

C7H10N2O3 — CID 117230638

IUPAC5-(2-hydroxypropoxy)-1H-pyrimidin-2-one
SMILESCC(O)COc1cnc(=O)[nH]c1
InChIInChI=1S/C7H10N2O3/c1-5(10)4-12-6-2-8-7(11)9-3-6/h2-3,5,10H,4H2,1H3,(H,8,9,11)
InChIKeyAHWFWJUAECRFPX-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.47
Rot. Bonds3

About 5-(2-hydroxypropoxy)-1H-pyrimidin-2-one

5-(2-hydroxypropoxy)-1H-pyrimidin-2-one (PubChem CID 117230638) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 5-(2-hydroxypropoxy)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(2-hydroxypropoxy)-1H-pyrimidin-2-one
PubChem CID117230638
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name5-(2-hydroxypropoxy)-1H-pyrimidin-2-one
SMILESCC(O)COc1cnc(=O)[nH]c1
InChIInChI=1S/C7H10N2O3/c1-5(10)4-12-6-2-8-7(11)9-3-6/h2-3,5,10H,4H2,1H3,(H,8,9,11)
InChIKeyAHWFWJUAECRFPX-UHFFFAOYSA-N
XLogP-0.47
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

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Related Compounds

5-Ethoxypyrimidin-2-ol
CID 15565268
5-propan-2-yloxy-1H-pyrimidin-2-one
CID 117231345
5-(2-hydroxyethoxy)-1H-pyrimidin-2-one
CID 117230632
5-(2-hydroxypropoxy)-1H-pyrimidine-2-thione
CID 117230639

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropoxy)-1H-pyrimidin-2-one?
The IUPAC name of 5-(2-hydroxypropoxy)-1H-pyrimidin-2-one (CID 117230638) is 5-(2-hydroxypropoxy)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(2-hydroxypropoxy)-1H-pyrimidin-2-one?
The canonical SMILES for 5-(2-hydroxypropoxy)-1H-pyrimidin-2-one is CC(O)COc1cnc(=O)[nH]c1.
What is the InChIKey of 5-(2-hydroxypropoxy)-1H-pyrimidin-2-one?
The InChIKey is AHWFWJUAECRFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-5(10)4-12-6-2-8-7(11)9-3-6/h2-3,5,10H,4H2,1H3,(H,8,9,11).
What are the key properties of 5-(2-hydroxypropoxy)-1H-pyrimidin-2-one?
5-(2-hydroxypropoxy)-1H-pyrimidin-2-one has a molecular weight of 170.17 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropoxy)-1H-pyrimidin-2-one is sourced from PubChem (CID 117230638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).