4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one

C10H16N2O3 — CID 106451673

IUPAC4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
SMILESCC(C)COCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C10H16N2O3/c1-8(2)6-14-3-4-15-10-5-9(13)11-7-12-10/h5,7-8H,3-4,6H2,1-2H3,(H,11,12,13)
InChIKeyGJXHSCUTCNZNDK-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.82
Rot. Bonds6

About 4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one

4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one (PubChem CID 106451673) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
PubChem CID106451673
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
SMILESCC(C)COCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C10H16N2O3/c1-8(2)6-14-3-4-15-10-5-9(13)11-7-12-10/h5,7-8H,3-4,6H2,1-2H3,(H,11,12,13)
InChIKeyGJXHSCUTCNZNDK-UHFFFAOYSA-N
XLogP0.82
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one (CID 106451673) is 4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one is CC(C)COCCOc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is GJXHSCUTCNZNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-8(2)6-14-3-4-15-10-5-9(13)11-7-12-10/h5,7-8H,3-4,6H2,1-2H3,(H,11,12,13).
What are the key properties of 4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one?
4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 106451673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).