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

C10H16N2O4 — CID 103240703

IUPAC5-methoxy-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one
SMILESCOc1c(OCCOC(C)C)nc[nH]c1=O
InChIInChI=1S/C10H16N2O4/c1-7(2)15-4-5-16-10-8(14-3)9(13)11-6-12-10/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeySGGQWHGVJOEEBR-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.58
Rot. Bonds6

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

5-methoxy-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one (PubChem CID 103240703) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-methoxy-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one
PubChem CID103240703
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name5-methoxy-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one
SMILESCOc1c(OCCOC(C)C)nc[nH]c1=O
InChIInChI=1S/C10H16N2O4/c1-7(2)15-4-5-16-10-8(14-3)9(13)11-6-12-10/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeySGGQWHGVJOEEBR-UHFFFAOYSA-N
XLogP0.58
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-methoxy-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one (CID 103240703) is 5-methoxy-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one is COc1c(OCCOC(C)C)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one?
The InChIKey is SGGQWHGVJOEEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-7(2)15-4-5-16-10-8(14-3)9(13)11-6-12-10/h6-7H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 5-methoxy-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one?
5-methoxy-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one has a molecular weight of 228.25 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).