4-(2-methoxyethoxy)-6-(methoxymethyl)-2-(3-methylphenyl)pyrimidine

C16H20N2O3 — CID 2730493

IUPAC4-(2-methoxyethoxy)-6-(methoxymethyl)-2-(3-methylphenyl)pyrimidine
SMILESCOCCOc1cc(COC)nc(-c2cccc(C)c2)n1
InChIInChI=1S/C16H20N2O3/c1-12-5-4-6-13(9-12)16-17-14(11-20-3)10-15(18-16)21-8-7-19-2/h4-6,9-10H,7-8,11H2,1-3H3
InChIKeyJGFLTUKILZFSLU-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.62
Rot. Bonds7

About 4-(2-methoxyethoxy)-6-(methoxymethyl)-2-(3-methylphenyl)pyrimidine

4-(2-methoxyethoxy)-6-(methoxymethyl)-2-(3-methylphenyl)pyrimidine (PubChem CID 2730493) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-6-(methoxymethyl)-2-(3-methylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-6-(methoxymethyl)-2-(3-methylphenyl)pyrimidine
PubChem CID2730493
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-(2-methoxyethoxy)-6-(methoxymethyl)-2-(3-methylphenyl)pyrimidine
SMILESCOCCOc1cc(COC)nc(-c2cccc(C)c2)n1
InChIInChI=1S/C16H20N2O3/c1-12-5-4-6-13(9-12)16-17-14(11-20-3)10-15(18-16)21-8-7-19-2/h4-6,9-10H,7-8,11H2,1-3H3
InChIKeyJGFLTUKILZFSLU-UHFFFAOYSA-N
XLogP2.62
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.62
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 4-(2-methoxyethoxy)-6-(methoxymethyl)-2-(3-methylphenyl)pyrimidine?
The IUPAC name of 4-(2-methoxyethoxy)-6-(methoxymethyl)-2-(3-methylphenyl)pyrimidine (CID 2730493) is 4-(2-methoxyethoxy)-6-(methoxymethyl)-2-(3-methylphenyl)pyrimidine.
What is the SMILES notation for 4-(2-methoxyethoxy)-6-(methoxymethyl)-2-(3-methylphenyl)pyrimidine?
The canonical SMILES for 4-(2-methoxyethoxy)-6-(methoxymethyl)-2-(3-methylphenyl)pyrimidine is COCCOc1cc(COC)nc(-c2cccc(C)c2)n1.
What is the InChIKey of 4-(2-methoxyethoxy)-6-(methoxymethyl)-2-(3-methylphenyl)pyrimidine?
The InChIKey is JGFLTUKILZFSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12-5-4-6-13(9-12)16-17-14(11-20-3)10-15(18-16)21-8-7-19-2/h4-6,9-10H,7-8,11H2,1-3H3.
What are the key properties of 4-(2-methoxyethoxy)-6-(methoxymethyl)-2-(3-methylphenyl)pyrimidine?
4-(2-methoxyethoxy)-6-(methoxymethyl)-2-(3-methylphenyl)pyrimidine has a molecular weight of 288.35 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-6-(methoxymethyl)-2-(3-methylphenyl)pyrimidine is sourced from PubChem (CID 2730493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).