5,7-dimethoxy-2-(1H-pyrrol-2-yl)imidazo[1,2-a]pyrimidine

C12H12N4O2 — CID 115404185

IUPAC5,7-dimethoxy-2-(1H-pyrrol-2-yl)imidazo[1,2-a]pyrimidine
SMILESCOc1cc(OC)n2cc(-c3ccc[nH]3)nc2n1
InChIInChI=1S/C12H12N4O2/c1-17-10-6-11(18-2)16-7-9(14-12(16)15-10)8-4-3-5-13-8/h3-7,13H,1-2H3
InChIKeyUQSGTUZBBYYQNA-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.74
Rot. Bonds3

About 5,7-dimethoxy-2-(1H-pyrrol-2-yl)imidazo[1,2-a]pyrimidine

5,7-dimethoxy-2-(1H-pyrrol-2-yl)imidazo[1,2-a]pyrimidine (PubChem CID 115404185) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5,7-dimethoxy-2-(1H-pyrrol-2-yl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethoxy-2-(1H-pyrrol-2-yl)imidazo[1,2-a]pyrimidine
PubChem CID115404185
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name5,7-dimethoxy-2-(1H-pyrrol-2-yl)imidazo[1,2-a]pyrimidine
SMILESCOc1cc(OC)n2cc(-c3ccc[nH]3)nc2n1
InChIInChI=1S/C12H12N4O2/c1-17-10-6-11(18-2)16-7-9(14-12(16)15-10)8-4-3-5-13-8/h3-7,13H,1-2H3
InChIKeyUQSGTUZBBYYQNA-UHFFFAOYSA-N
XLogP1.74
TPSA64.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2-(1H-pyrrol-2-yl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 5,7-dimethoxy-2-(1H-pyrrol-2-yl)imidazo[1,2-a]pyrimidine (CID 115404185) is 5,7-dimethoxy-2-(1H-pyrrol-2-yl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5,7-dimethoxy-2-(1H-pyrrol-2-yl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5,7-dimethoxy-2-(1H-pyrrol-2-yl)imidazo[1,2-a]pyrimidine is COc1cc(OC)n2cc(-c3ccc[nH]3)nc2n1.
What is the InChIKey of 5,7-dimethoxy-2-(1H-pyrrol-2-yl)imidazo[1,2-a]pyrimidine?
The InChIKey is UQSGTUZBBYYQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-17-10-6-11(18-2)16-7-9(14-12(16)15-10)8-4-3-5-13-8/h3-7,13H,1-2H3.
What are the key properties of 5,7-dimethoxy-2-(1H-pyrrol-2-yl)imidazo[1,2-a]pyrimidine?
5,7-dimethoxy-2-(1H-pyrrol-2-yl)imidazo[1,2-a]pyrimidine has a molecular weight of 244.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2-(1H-pyrrol-2-yl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 115404185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).