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

C7H8N2O3 — CID 117230703

IUPAC5-(2-oxopropoxy)-1H-pyrimidin-2-one
SMILESCC(=O)COc1cnc(=O)[nH]c1
InChIInChI=1S/C7H8N2O3/c1-5(10)4-12-6-2-8-7(11)9-3-6/h2-3H,4H2,1H3,(H,8,9,11)
InChIKeyVHLFYTGDFMFZIL-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.26
Rot. Bonds3

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

5-(2-oxopropoxy)-1H-pyrimidin-2-one (PubChem CID 117230703) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 5-(2-oxopropoxy)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(2-oxopropoxy)-1H-pyrimidin-2-one
PubChem CID117230703
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name5-(2-oxopropoxy)-1H-pyrimidin-2-one
SMILESCC(=O)COc1cnc(=O)[nH]c1
InChIInChI=1S/C7H8N2O3/c1-5(10)4-12-6-2-8-7(11)9-3-6/h2-3H,4H2,1H3,(H,8,9,11)
InChIKeyVHLFYTGDFMFZIL-UHFFFAOYSA-N
XLogP-0.26
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-oxopropoxy)-1H-pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-oxo-1H-pyrimidin-5-yl)oxy]acetic acid
CID 117229845
5-(aminomethoxy)-1H-pyrimidin-2-one
CID 117231127
4-[(2-oxo-1H-pyrimidin-5-yl)oxy]benzoic acid
CID 115038673
1-(3,5-dimethoxyphenoxy)propan-2-one
CID 43411971
5-(4-hydroxyphenoxy)-1H-pyrimidin-2-one
CID 59428055
5-(hydroxymethyl)-1H-pyrimidin-2-one
CID 45080272
1-[4-[4-(2-oxopropoxy)phenoxy]phenoxy]propan-2-one
CID 134691477
5-[(3Z,5Z)-4-methylhepta-1,3,5-trien-2-yl]oxy-1H-pyrimidin-2-one
CID 143416927
5-(4-fluorophenoxy)-1H-pyrimidin-2-one
CID 12661833
5-(2-acetylphenyl)-1H-pyrimidin-2-one
CID 105467489
N-(2-oxo-1H-pyrimidin-5-yl)propanamide
CID 130249603
2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride
CID 142106869

Frequently Asked Questions

What is the IUPAC name of 5-(2-oxopropoxy)-1H-pyrimidin-2-one?
The IUPAC name of 5-(2-oxopropoxy)-1H-pyrimidin-2-one (CID 117230703) is 5-(2-oxopropoxy)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(2-oxopropoxy)-1H-pyrimidin-2-one?
The canonical SMILES for 5-(2-oxopropoxy)-1H-pyrimidin-2-one is CC(=O)COc1cnc(=O)[nH]c1.
What is the InChIKey of 5-(2-oxopropoxy)-1H-pyrimidin-2-one?
The InChIKey is VHLFYTGDFMFZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-5(10)4-12-6-2-8-7(11)9-3-6/h2-3H,4H2,1H3,(H,8,9,11).
What are the key properties of 5-(2-oxopropoxy)-1H-pyrimidin-2-one?
5-(2-oxopropoxy)-1H-pyrimidin-2-one has a molecular weight of 168.15 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxopropoxy)-1H-pyrimidin-2-one is sourced from PubChem (CID 117230703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).