5,7-dimethoxy-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine

C15H15N3O2 — CID 115404204

IUPAC5,7-dimethoxy-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine
SMILESCOc1cc(OC)n2cc(-c3ccc(C)cc3)nc2n1
InChIInChI=1S/C15H15N3O2/c1-10-4-6-11(7-5-10)12-9-18-14(20-3)8-13(19-2)17-15(18)16-12/h4-9H,1-3H3
InChIKeyAVJSJPAKDGNKLO-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.72
Rot. Bonds3

About 5,7-dimethoxy-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine

5,7-dimethoxy-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine (PubChem CID 115404204) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5,7-dimethoxy-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethoxy-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine
PubChem CID115404204
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5,7-dimethoxy-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine
SMILESCOc1cc(OC)n2cc(-c3ccc(C)cc3)nc2n1
InChIInChI=1S/C15H15N3O2/c1-10-4-6-11(7-5-10)12-9-18-14(20-3)8-13(19-2)17-15(18)16-12/h4-9H,1-3H3
InChIKeyAVJSJPAKDGNKLO-UHFFFAOYSA-N
XLogP2.72
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 5,7-dimethoxy-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine (CID 115404204) is 5,7-dimethoxy-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5,7-dimethoxy-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5,7-dimethoxy-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine is COc1cc(OC)n2cc(-c3ccc(C)cc3)nc2n1.
What is the InChIKey of 5,7-dimethoxy-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine?
The InChIKey is AVJSJPAKDGNKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-4-6-11(7-5-10)12-9-18-14(20-3)8-13(19-2)17-15(18)16-12/h4-9H,1-3H3.
What are the key properties of 5,7-dimethoxy-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine?
5,7-dimethoxy-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine has a molecular weight of 269.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 115404204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).