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

C12H20N2O3 — CID 103240423

IUPAC4-heptoxy-5-methoxy-1H-pyrimidin-6-one
SMILESCCCCCCCOc1nc[nH]c(=O)c1OC
InChIInChI=1S/C12H20N2O3/c1-3-4-5-6-7-8-17-12-10(16-2)11(15)13-9-14-12/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyOIVYNWUOXOWABB-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.13
Rot. Bonds8

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

4-heptoxy-5-methoxy-1H-pyrimidin-6-one (PubChem CID 103240423) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-heptoxy-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-heptoxy-5-methoxy-1H-pyrimidin-6-one
PubChem CID103240423
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name4-heptoxy-5-methoxy-1H-pyrimidin-6-one
SMILESCCCCCCCOc1nc[nH]c(=O)c1OC
InChIInChI=1S/C12H20N2O3/c1-3-4-5-6-7-8-17-12-10(16-2)11(15)13-9-14-12/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyOIVYNWUOXOWABB-UHFFFAOYSA-N
XLogP2.13
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminocycloheptyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 91021757
5-cycloundecyloxy-4-methyl-1H-pyrimidin-6-one
CID 154951680
5-methoxy-4-octan-2-yloxy-1H-pyrimidin-6-one
CID 103240414
5-methoxy-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240473
4-hexoxy-5-methoxy-1H-pyrimidin-6-one
CID 103240492
5-methoxy-4-octoxy-1H-pyrimidin-6-one
CID 103240505
5-methoxy-4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240514
4-cyclopentyloxy-5-methoxy-1H-pyrimidin-6-one
CID 103240525
4-cyclohexyloxy-5-methoxy-1H-pyrimidin-6-one
CID 103240534
4-ethoxy-5-methoxy-1H-pyrimidin-6-one
CID 103240575
5-methoxy-4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240608
5-methoxy-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240632

Frequently Asked Questions

What is the IUPAC name of 4-heptoxy-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-heptoxy-5-methoxy-1H-pyrimidin-6-one (CID 103240423) is 4-heptoxy-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-heptoxy-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-heptoxy-5-methoxy-1H-pyrimidin-6-one is CCCCCCCOc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-heptoxy-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is OIVYNWUOXOWABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-3-4-5-6-7-8-17-12-10(16-2)11(15)13-9-14-12/h9H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of 4-heptoxy-5-methoxy-1H-pyrimidin-6-one?
4-heptoxy-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 240.30 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptoxy-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103240423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).