1-[2-(3-methoxypropoxy)ethyl]pyrimidin-2-one

C10H16N2O3 — CID 103184162

IUPAC1-[2-(3-methoxypropoxy)ethyl]pyrimidin-2-one
SMILESCOCCCOCCn1cccnc1=O
InChIInChI=1S/C10H16N2O3/c1-14-7-3-8-15-9-6-12-5-2-4-11-10(12)13/h2,4-5H,3,6-9H2,1H3
InChIKeyDAONFEBOXFEOGJ-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.30
Rot. Bonds7

About 1-[2-(3-methoxypropoxy)ethyl]pyrimidin-2-one

1-[2-(3-methoxypropoxy)ethyl]pyrimidin-2-one (PubChem CID 103184162) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-[2-(3-methoxypropoxy)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(3-methoxypropoxy)ethyl]pyrimidin-2-one
PubChem CID103184162
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-[2-(3-methoxypropoxy)ethyl]pyrimidin-2-one
SMILESCOCCCOCCn1cccnc1=O
InChIInChI=1S/C10H16N2O3/c1-14-7-3-8-15-9-6-12-5-2-4-11-10(12)13/h2,4-5H,3,6-9H2,1H3
InChIKeyDAONFEBOXFEOGJ-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 1-[2-(3-methoxypropoxy)ethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-(3-methoxypropoxy)ethyl]pyrimidin-2-one (CID 103184162) is 1-[2-(3-methoxypropoxy)ethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-(3-methoxypropoxy)ethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-(3-methoxypropoxy)ethyl]pyrimidin-2-one is COCCCOCCn1cccnc1=O.
What is the InChIKey of 1-[2-(3-methoxypropoxy)ethyl]pyrimidin-2-one?
The InChIKey is DAONFEBOXFEOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-14-7-3-8-15-9-6-12-5-2-4-11-10(12)13/h2,4-5H,3,6-9H2,1H3.
What are the key properties of 1-[2-(3-methoxypropoxy)ethyl]pyrimidin-2-one?
1-[2-(3-methoxypropoxy)ethyl]pyrimidin-2-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 1-[2-(3-methoxypropoxy)ethyl]pyrimidin-2-one is sourced from PubChem (CID 103184162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).