4-(dimethoxymethyl)-2-(2-methoxyethyl)pyrimidine

C10H16N2O3 — CID 115531708

IUPAC4-(dimethoxymethyl)-2-(2-methoxyethyl)pyrimidine
SMILESCOCCc1nccc(C(OC)OC)n1
InChIInChI=1S/C10H16N2O3/c1-13-7-5-9-11-6-4-8(12-9)10(14-2)15-3/h4,6,10H,5,7H2,1-3H3
InChIKeyLSHLFNMIGUZJEF-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.96
Rot. Bonds6

About 4-(dimethoxymethyl)-2-(2-methoxyethyl)pyrimidine

4-(dimethoxymethyl)-2-(2-methoxyethyl)pyrimidine (PubChem CID 115531708) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-(2-methoxyethyl)pyrimidine.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-(2-methoxyethyl)pyrimidine
PubChem CID115531708
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name4-(dimethoxymethyl)-2-(2-methoxyethyl)pyrimidine
SMILESCOCCc1nccc(C(OC)OC)n1
InChIInChI=1S/C10H16N2O3/c1-13-7-5-9-11-6-4-8(12-9)10(14-2)15-3/h4,6,10H,5,7H2,1-3H3
InChIKeyLSHLFNMIGUZJEF-UHFFFAOYSA-N
XLogP0.96
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-(2-methoxyethyl)pyrimidine?
The IUPAC name of 4-(dimethoxymethyl)-2-(2-methoxyethyl)pyrimidine (CID 115531708) is 4-(dimethoxymethyl)-2-(2-methoxyethyl)pyrimidine.
What is the SMILES notation for 4-(dimethoxymethyl)-2-(2-methoxyethyl)pyrimidine?
The canonical SMILES for 4-(dimethoxymethyl)-2-(2-methoxyethyl)pyrimidine is COCCc1nccc(C(OC)OC)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-(2-methoxyethyl)pyrimidine?
The InChIKey is LSHLFNMIGUZJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-13-7-5-9-11-6-4-8(12-9)10(14-2)15-3/h4,6,10H,5,7H2,1-3H3.
What are the key properties of 4-(dimethoxymethyl)-2-(2-methoxyethyl)pyrimidine?
4-(dimethoxymethyl)-2-(2-methoxyethyl)pyrimidine has a molecular weight of 212.25 g/mol, XLogP of 0.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-(2-methoxyethyl)pyrimidine is sourced from PubChem (CID 115531708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).