5,7-dimethyl-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine

C15H15N3O — CID 4564703

IUPAC5,7-dimethyl-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(COc3ccccc3)nc2n1
InChIInChI=1S/C15H15N3O/c1-11-8-12(2)18-9-13(17-15(18)16-11)10-19-14-6-4-3-5-7-14/h3-9H,10H2,1-2H3
InChIKeyOXASCDBNBUXIRX-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.93
Rot. Bonds3

About 5,7-dimethyl-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine

5,7-dimethyl-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine (PubChem CID 4564703) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 5,7-dimethyl-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
PubChem CID4564703
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name5,7-dimethyl-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(COc3ccccc3)nc2n1
InChIInChI=1S/C15H15N3O/c1-11-8-12(2)18-9-13(17-15(18)16-11)10-19-14-6-4-3-5-7-14/h3-9H,10H2,1-2H3
InChIKeyOXASCDBNBUXIRX-UHFFFAOYSA-N
XLogP2.93
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine (CID 4564703) is 5,7-dimethyl-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine is Cc1cc(C)n2cc(COc3ccccc3)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is OXASCDBNBUXIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-11-8-12(2)18-9-13(17-15(18)16-11)10-19-14-6-4-3-5-7-14/h3-9H,10H2,1-2H3.
What are the key properties of 5,7-dimethyl-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine?
5,7-dimethyl-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 253.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 4564703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).