4-hexoxy-5-methoxy-1H-pyrimidin-6-one

C11H18N2O3 — CID 103240492

IUPAC4-hexoxy-5-methoxy-1H-pyrimidin-6-one
SMILESCCCCCCOc1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H18N2O3/c1-3-4-5-6-7-16-11-9(15-2)10(14)12-8-13-11/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyVZRJWZNOMJUADY-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.74
Rot. Bonds7

About 4-hexoxy-5-methoxy-1H-pyrimidin-6-one

4-hexoxy-5-methoxy-1H-pyrimidin-6-one (PubChem CID 103240492) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-hexoxy-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hexoxy-5-methoxy-1H-pyrimidin-6-one
PubChem CID103240492
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name4-hexoxy-5-methoxy-1H-pyrimidin-6-one
SMILESCCCCCCOc1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H18N2O3/c1-3-4-5-6-7-16-11-9(15-2)10(14)12-8-13-11/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyVZRJWZNOMJUADY-UHFFFAOYSA-N
XLogP1.74
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hexoxy-5-methoxy-1H-pyrimidin-6-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-methoxy-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 103241914
5-methoxy-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241926
5-butoxy-4-hydroxy-1H-pyrimidin-6-one
CID 69937300
5-cycloundecyloxy-4-methyl-1H-pyrimidin-6-one
CID 154951680
5-methoxy-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634780
5-methoxy-4-octan-2-yloxy-1H-pyrimidin-6-one
CID 103240414
4-heptoxy-5-methoxy-1H-pyrimidin-6-one
CID 103240423
5-methoxy-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one
CID 103240453
5-methoxy-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240473
5-methoxy-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one
CID 103240483
5-methoxy-4-octoxy-1H-pyrimidin-6-one
CID 103240505
5-methoxy-4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240514

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-hexoxy-5-methoxy-1H-pyrimidin-6-one (CID 103240492) is 4-hexoxy-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hexoxy-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-hexoxy-5-methoxy-1H-pyrimidin-6-one is CCCCCCOc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-hexoxy-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is VZRJWZNOMJUADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-3-4-5-6-7-16-11-9(15-2)10(14)12-8-13-11/h8H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of 4-hexoxy-5-methoxy-1H-pyrimidin-6-one?
4-hexoxy-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103240492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).