5-methoxy-4-(2-methoxyethoxy)-1H-pyrimidin-6-one

C8H12N2O4 — CID 103240664

IUPAC5-methoxy-4-(2-methoxyethoxy)-1H-pyrimidin-6-one
SMILESCOCCOc1nc[nH]c(=O)c1OC
InChIInChI=1S/C8H12N2O4/c1-12-3-4-14-8-6(13-2)7(11)9-5-10-8/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyNZUGDZYXDRCAOY-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.20
Rot. Bonds5

About 5-methoxy-4-(2-methoxyethoxy)-1H-pyrimidin-6-one

5-methoxy-4-(2-methoxyethoxy)-1H-pyrimidin-6-one (PubChem CID 103240664) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 5-methoxy-4-(2-methoxyethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(2-methoxyethoxy)-1H-pyrimidin-6-one
PubChem CID103240664
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name5-methoxy-4-(2-methoxyethoxy)-1H-pyrimidin-6-one
SMILESCOCCOc1nc[nH]c(=O)c1OC
InChIInChI=1S/C8H12N2O4/c1-12-3-4-14-8-6(13-2)7(11)9-5-10-8/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyNZUGDZYXDRCAOY-UHFFFAOYSA-N
XLogP-0.20
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.20
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-(2-methoxyethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(2-methoxyethoxy)-1H-pyrimidin-6-one (CID 103240664) is 5-methoxy-4-(2-methoxyethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(2-methoxyethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(2-methoxyethoxy)-1H-pyrimidin-6-one is COCCOc1nc[nH]c(=O)c1OC.
What is the InChIKey of 5-methoxy-4-(2-methoxyethoxy)-1H-pyrimidin-6-one?
The InChIKey is NZUGDZYXDRCAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-12-3-4-14-8-6(13-2)7(11)9-5-10-8/h5H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of 5-methoxy-4-(2-methoxyethoxy)-1H-pyrimidin-6-one?
5-methoxy-4-(2-methoxyethoxy)-1H-pyrimidin-6-one has a molecular weight of 200.19 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(2-methoxyethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).