7-(1-methoxyethenyl)-5-methylimidazo[1,2-a]pyrimidine

C10H11N3O — CID 70297490

IUPAC7-(1-methoxyethenyl)-5-methylimidazo[1,2-a]pyrimidine
SMILESC=C(OC)c1cc(C)n2ccnc2n1
InChIInChI=1S/C10H11N3O/c1-7-6-9(8(2)14-3)12-10-11-4-5-13(7)10/h4-6H,2H2,1,3H3
InChIKeyWWYZXSOOHOOTBM-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.65
Rot. Bonds2

About 7-(1-methoxyethenyl)-5-methylimidazo[1,2-a]pyrimidine

7-(1-methoxyethenyl)-5-methylimidazo[1,2-a]pyrimidine (PubChem CID 70297490) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 7-(1-methoxyethenyl)-5-methylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-(1-methoxyethenyl)-5-methylimidazo[1,2-a]pyrimidine
PubChem CID70297490
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name7-(1-methoxyethenyl)-5-methylimidazo[1,2-a]pyrimidine
SMILESC=C(OC)c1cc(C)n2ccnc2n1
InChIInChI=1S/C10H11N3O/c1-7-6-9(8(2)14-3)12-10-11-4-5-13(7)10/h4-6H,2H2,1,3H3
InChIKeyWWYZXSOOHOOTBM-UHFFFAOYSA-N
XLogP1.65
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methoxyethenyl)-5-methylimidazo[1,2-a]pyrimidine?
The IUPAC name of 7-(1-methoxyethenyl)-5-methylimidazo[1,2-a]pyrimidine (CID 70297490) is 7-(1-methoxyethenyl)-5-methylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-(1-methoxyethenyl)-5-methylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-(1-methoxyethenyl)-5-methylimidazo[1,2-a]pyrimidine is C=C(OC)c1cc(C)n2ccnc2n1.
What is the InChIKey of 7-(1-methoxyethenyl)-5-methylimidazo[1,2-a]pyrimidine?
The InChIKey is WWYZXSOOHOOTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7-6-9(8(2)14-3)12-10-11-4-5-13(7)10/h4-6H,2H2,1,3H3.
What are the key properties of 7-(1-methoxyethenyl)-5-methylimidazo[1,2-a]pyrimidine?
7-(1-methoxyethenyl)-5-methylimidazo[1,2-a]pyrimidine has a molecular weight of 189.22 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methoxyethenyl)-5-methylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 70297490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).