3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one

C10H16N2O3 — CID 103413342

IUPAC3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one
SMILESCOCCOCCCn1cnccc1=O
InChIInChI=1S/C10H16N2O3/c1-14-7-8-15-6-2-5-12-9-11-4-3-10(12)13/h3-4,9H,2,5-8H2,1H3
InChIKeyRVHXDWWSNLIOBA-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.30
Rot. Bonds7

About 3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one

3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one (PubChem CID 103413342) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one
PubChem CID103413342
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one
SMILESCOCCOCCCn1cnccc1=O
InChIInChI=1S/C10H16N2O3/c1-14-7-8-15-6-2-5-12-9-11-4-3-10(12)13/h3-4,9H,2,5-8H2,1H3
InChIKeyRVHXDWWSNLIOBA-UHFFFAOYSA-N
XLogP0.30
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.30
H-Bond Donors ≤ 50
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 3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one?
The IUPAC name of 3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one (CID 103413342) is 3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one.
What is the SMILES notation for 3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one?
The canonical SMILES for 3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one is COCCOCCCn1cnccc1=O.
What is the InChIKey of 3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one?
The InChIKey is RVHXDWWSNLIOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-14-7-8-15-6-2-5-12-9-11-4-3-10(12)13/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one?
3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one has a molecular weight of 212.25 g/mol, XLogP of 0.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one is sourced from PubChem (CID 103413342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).