5-pentoxy-1H-pyrimidin-2-one

C9H14N2O2 — CID 53362930

IUPAC5-pentoxy-1H-pyrimidin-2-one
SMILESCCCCCOc1cnc(=O)[nH]c1
InChIInChI=1S/C9H14N2O2/c1-2-3-4-5-13-8-6-10-9(12)11-7-8/h6-7H,2-5H2,1H3,(H,10,11,12)
InChIKeyLGQNWIMWOQZVPD-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.34
Rot. Bonds5

About 5-pentoxy-1H-pyrimidin-2-one

5-pentoxy-1H-pyrimidin-2-one (PubChem CID 53362930) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-pentoxy-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-pentoxy-1H-pyrimidin-2-one
PubChem CID53362930
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-pentoxy-1H-pyrimidin-2-one
SMILESCCCCCOc1cnc(=O)[nH]c1
InChIInChI=1S/C9H14N2O2/c1-2-3-4-5-13-8-6-10-9(12)11-7-8/h6-7H,2-5H2,1H3,(H,10,11,12)
InChIKeyLGQNWIMWOQZVPD-UHFFFAOYSA-N
XLogP1.34
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-pentoxy-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

5-Methoxypyrimidin-2(1H)-one
CID 19816959
5-Ethoxypyrimidin-2-ol
CID 15565268
5-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one
CID 89460216
5-propan-2-yloxy-1H-pyrimidin-2-one
CID 117231345
ethane;5-methoxy-1H-pyrimidin-2-one
CID 144154497
(5-ethoxy-1H-pyrimidin-2-ylidene)methanone
CID 176538925
2-Methyl-5-propoxy-1,2-dihydropyrimidine
CID 176962570
5-(2-aminoethoxy)-1H-pyrimidin-2-one
CID 117229814
5-(3-aminopropoxy)-1H-pyrimidin-2-one
CID 117229902
5-(methylaminomethoxy)-1H-pyrimidin-2-one
CID 117231133
5-(1-aminoethoxy)-1H-pyrimidin-2-one
CID 117231139
5-[1-(methylamino)ethoxy]-1H-pyrimidin-2-one
CID 117231145

Frequently Asked Questions

What is the IUPAC name of 5-pentoxy-1H-pyrimidin-2-one?
The IUPAC name of 5-pentoxy-1H-pyrimidin-2-one (CID 53362930) is 5-pentoxy-1H-pyrimidin-2-one.
What is the SMILES notation for 5-pentoxy-1H-pyrimidin-2-one?
The canonical SMILES for 5-pentoxy-1H-pyrimidin-2-one is CCCCCOc1cnc(=O)[nH]c1.
What is the InChIKey of 5-pentoxy-1H-pyrimidin-2-one?
The InChIKey is LGQNWIMWOQZVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-3-4-5-13-8-6-10-9(12)11-7-8/h6-7H,2-5H2,1H3,(H,10,11,12).
What are the key properties of 5-pentoxy-1H-pyrimidin-2-one?
5-pentoxy-1H-pyrimidin-2-one has a molecular weight of 182.22 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentoxy-1H-pyrimidin-2-one is sourced from PubChem (CID 53362930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).