2-(4-chlorophenyl)-5-methoxy-7-methylimidazo[1,2-a]pyrimidine

C14H12ClN3O — CID 155548566

IUPAC2-(4-chlorophenyl)-5-methoxy-7-methylimidazo[1,2-a]pyrimidine
SMILESCOc1cc(C)nc2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C14H12ClN3O/c1-9-7-13(19-2)18-8-12(17-14(18)16-9)10-3-5-11(15)6-4-10/h3-8H,1-2H3
InChIKeyNPWNTGFLUWXEIA-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.37
Rot. Bonds2

About 2-(4-chlorophenyl)-5-methoxy-7-methylimidazo[1,2-a]pyrimidine

2-(4-chlorophenyl)-5-methoxy-7-methylimidazo[1,2-a]pyrimidine (PubChem CID 155548566) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-methoxy-7-methylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-methoxy-7-methylimidazo[1,2-a]pyrimidine
PubChem CID155548566
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name2-(4-chlorophenyl)-5-methoxy-7-methylimidazo[1,2-a]pyrimidine
SMILESCOc1cc(C)nc2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C14H12ClN3O/c1-9-7-13(19-2)18-8-12(17-14(18)16-9)10-3-5-11(15)6-4-10/h3-8H,1-2H3
InChIKeyNPWNTGFLUWXEIA-UHFFFAOYSA-N
XLogP3.37
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-methoxy-7-methylimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(4-chlorophenyl)-5-methoxy-7-methylimidazo[1,2-a]pyrimidine (CID 155548566) is 2-(4-chlorophenyl)-5-methoxy-7-methylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(4-chlorophenyl)-5-methoxy-7-methylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(4-chlorophenyl)-5-methoxy-7-methylimidazo[1,2-a]pyrimidine is COc1cc(C)nc2nc(-c3ccc(Cl)cc3)cn12.
What is the InChIKey of 2-(4-chlorophenyl)-5-methoxy-7-methylimidazo[1,2-a]pyrimidine?
The InChIKey is NPWNTGFLUWXEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-9-7-13(19-2)18-8-12(17-14(18)16-9)10-3-5-11(15)6-4-10/h3-8H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-5-methoxy-7-methylimidazo[1,2-a]pyrimidine?
2-(4-chlorophenyl)-5-methoxy-7-methylimidazo[1,2-a]pyrimidine has a molecular weight of 273.72 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-methoxy-7-methylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 155548566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).