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

C12H20N2O6 — CID 103241966

IUPAC5-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one
SMILESCOCCOCCOCCOc1nc[nH]c(=O)c1OC
InChIInChI=1S/C12H20N2O6/c1-16-3-4-18-5-6-19-7-8-20-12-10(17-2)11(15)13-9-14-12/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyNCZWWMVSFLNTHT-UHFFFAOYSA-N
MW288.30 g/mol
LogP-0.16
Rot. Bonds11

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

5-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one (PubChem CID 103241966) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one
PubChem CID103241966
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Name5-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one
SMILESCOCCOCCOCCOc1nc[nH]c(=O)c1OC
InChIInChI=1S/C12H20N2O6/c1-16-3-4-18-5-6-19-7-8-20-12-10(17-2)11(15)13-9-14-12/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyNCZWWMVSFLNTHT-UHFFFAOYSA-N
XLogP-0.16
TPSA91.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one (CID 103241966) is 5-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one is COCCOCCOCCOc1nc[nH]c(=O)c1OC.
What is the InChIKey of 5-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one?
The InChIKey is NCZWWMVSFLNTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6/c1-16-3-4-18-5-6-19-7-8-20-12-10(17-2)11(15)13-9-14-12/h9H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of 5-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one?
5-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one has a molecular weight of 288.30 g/mol, XLogP of -0.16, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103241966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).