2-(ethoxymethyl)-4-imidazol-1-yl-6-methylpyrimidine

C11H14N4O — CID 138022435

IUPAC2-(ethoxymethyl)-4-imidazol-1-yl-6-methylpyrimidine
SMILESCCOCc1nc(C)cc(-n2ccnc2)n1
InChIInChI=1S/C11H14N4O/c1-3-16-7-10-13-9(2)6-11(14-10)15-5-4-12-8-15/h4-6,8H,3,7H2,1-2H3
InChIKeyOTURHPKUVZUNAE-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.51
Rot. Bonds4

About 2-(ethoxymethyl)-4-imidazol-1-yl-6-methylpyrimidine

2-(ethoxymethyl)-4-imidazol-1-yl-6-methylpyrimidine (PubChem CID 138022435) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-imidazol-1-yl-6-methylpyrimidine.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-imidazol-1-yl-6-methylpyrimidine
PubChem CID138022435
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-(ethoxymethyl)-4-imidazol-1-yl-6-methylpyrimidine
SMILESCCOCc1nc(C)cc(-n2ccnc2)n1
InChIInChI=1S/C11H14N4O/c1-3-16-7-10-13-9(2)6-11(14-10)15-5-4-12-8-15/h4-6,8H,3,7H2,1-2H3
InChIKeyOTURHPKUVZUNAE-UHFFFAOYSA-N
XLogP1.51
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-imidazol-1-yl-6-methylpyrimidine?
The IUPAC name of 2-(ethoxymethyl)-4-imidazol-1-yl-6-methylpyrimidine (CID 138022435) is 2-(ethoxymethyl)-4-imidazol-1-yl-6-methylpyrimidine.
What is the SMILES notation for 2-(ethoxymethyl)-4-imidazol-1-yl-6-methylpyrimidine?
The canonical SMILES for 2-(ethoxymethyl)-4-imidazol-1-yl-6-methylpyrimidine is CCOCc1nc(C)cc(-n2ccnc2)n1.
What is the InChIKey of 2-(ethoxymethyl)-4-imidazol-1-yl-6-methylpyrimidine?
The InChIKey is OTURHPKUVZUNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-3-16-7-10-13-9(2)6-11(14-10)15-5-4-12-8-15/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-4-imidazol-1-yl-6-methylpyrimidine?
2-(ethoxymethyl)-4-imidazol-1-yl-6-methylpyrimidine has a molecular weight of 218.26 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-imidazol-1-yl-6-methylpyrimidine is sourced from PubChem (CID 138022435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).