5-methoxy-4-(3-methoxypropoxy)-1H-pyrimidin-6-one

C9H14N2O4 — CID 103240869

IUPAC5-methoxy-4-(3-methoxypropoxy)-1H-pyrimidin-6-one
SMILESCOCCCOc1nc[nH]c(=O)c1OC
InChIInChI=1S/C9H14N2O4/c1-13-4-3-5-15-9-7(14-2)8(12)10-6-11-9/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyVHJQXOVDSZKEBY-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.19
Rot. Bonds6

About 5-methoxy-4-(3-methoxypropoxy)-1H-pyrimidin-6-one

5-methoxy-4-(3-methoxypropoxy)-1H-pyrimidin-6-one (PubChem CID 103240869) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-methoxy-4-(3-methoxypropoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(3-methoxypropoxy)-1H-pyrimidin-6-one
PubChem CID103240869
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name5-methoxy-4-(3-methoxypropoxy)-1H-pyrimidin-6-one
SMILESCOCCCOc1nc[nH]c(=O)c1OC
InChIInChI=1S/C9H14N2O4/c1-13-4-3-5-15-9-7(14-2)8(12)10-6-11-9/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyVHJQXOVDSZKEBY-UHFFFAOYSA-N
XLogP0.19
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(3-methoxypropoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(3-methoxypropoxy)-1H-pyrimidin-6-one (CID 103240869) is 5-methoxy-4-(3-methoxypropoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(3-methoxypropoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(3-methoxypropoxy)-1H-pyrimidin-6-one is COCCCOc1nc[nH]c(=O)c1OC.
What is the InChIKey of 5-methoxy-4-(3-methoxypropoxy)-1H-pyrimidin-6-one?
The InChIKey is VHJQXOVDSZKEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-13-4-3-5-15-9-7(14-2)8(12)10-6-11-9/h6H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of 5-methoxy-4-(3-methoxypropoxy)-1H-pyrimidin-6-one?
5-methoxy-4-(3-methoxypropoxy)-1H-pyrimidin-6-one has a molecular weight of 214.22 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(3-methoxypropoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).