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

C12H15N3O2 — CID 115404195

IUPAC5,7-dimethoxy-2-(1-methylcyclopropyl)imidazo[1,2-a]pyrimidine
SMILESCOc1cc(OC)n2cc(C3(C)CC3)nc2n1
InChIInChI=1S/C12H15N3O2/c1-12(4-5-12)8-7-15-10(17-3)6-9(16-2)14-11(15)13-8/h6-7H,4-5H2,1-3H3
InChIKeyZZZXCLWWHRPNLA-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.80
Rot. Bonds3

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

5,7-dimethoxy-2-(1-methylcyclopropyl)imidazo[1,2-a]pyrimidine (PubChem CID 115404195) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5,7-dimethoxy-2-(1-methylcyclopropyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethoxy-2-(1-methylcyclopropyl)imidazo[1,2-a]pyrimidine
PubChem CID115404195
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5,7-dimethoxy-2-(1-methylcyclopropyl)imidazo[1,2-a]pyrimidine
SMILESCOc1cc(OC)n2cc(C3(C)CC3)nc2n1
InChIInChI=1S/C12H15N3O2/c1-12(4-5-12)8-7-15-10(17-3)6-9(16-2)14-11(15)13-8/h6-7H,4-5H2,1-3H3
InChIKeyZZZXCLWWHRPNLA-UHFFFAOYSA-N
XLogP1.80
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.80
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-(1-methylcyclopropyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 5,7-dimethoxy-2-(1-methylcyclopropyl)imidazo[1,2-a]pyrimidine (CID 115404195) is 5,7-dimethoxy-2-(1-methylcyclopropyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5,7-dimethoxy-2-(1-methylcyclopropyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5,7-dimethoxy-2-(1-methylcyclopropyl)imidazo[1,2-a]pyrimidine is COc1cc(OC)n2cc(C3(C)CC3)nc2n1.
What is the InChIKey of 5,7-dimethoxy-2-(1-methylcyclopropyl)imidazo[1,2-a]pyrimidine?
The InChIKey is ZZZXCLWWHRPNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(4-5-12)8-7-15-10(17-3)6-9(16-2)14-11(15)13-8/h6-7H,4-5H2,1-3H3.
What are the key properties of 5,7-dimethoxy-2-(1-methylcyclopropyl)imidazo[1,2-a]pyrimidine?
5,7-dimethoxy-2-(1-methylcyclopropyl)imidazo[1,2-a]pyrimidine has a molecular weight of 233.27 g/mol, XLogP of 1.80, 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-(1-methylcyclopropyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 115404195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).