7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine

C10H13N3O2 — CID 18001277

IUPAC7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine
SMILESCOC(C)(OC)c1ccn2ccnc2n1
InChIInChI=1S/C10H13N3O2/c1-10(14-2,15-3)8-4-6-13-7-5-11-9(13)12-8/h4-7H,1-3H3
InChIKeyQWJOYKIVUSUSIU-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.19
Rot. Bonds3

About 7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine

7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine (PubChem CID 18001277) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine
PubChem CID18001277
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine
SMILESCOC(C)(OC)c1ccn2ccnc2n1
InChIInChI=1S/C10H13N3O2/c1-10(14-2,15-3)8-4-6-13-7-5-11-9(13)12-8/h4-7H,1-3H3
InChIKeyQWJOYKIVUSUSIU-UHFFFAOYSA-N
XLogP1.19
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine (CID 18001277) is 7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine is COC(C)(OC)c1ccn2ccnc2n1.
What is the InChIKey of 7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is QWJOYKIVUSUSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-10(14-2,15-3)8-4-6-13-7-5-11-9(13)12-8/h4-7H,1-3H3.
What are the key properties of 7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine?
7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 207.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 18001277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).