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

C10H12BrN3O2 — CID 18001292

IUPAC3-bromo-7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine
SMILESCOC(C)(OC)c1ccn2c(Br)cnc2n1
InChIInChI=1S/C10H12BrN3O2/c1-10(15-2,16-3)7-4-5-14-8(11)6-12-9(14)13-7/h4-6H,1-3H3
InChIKeyKTVVQVFMQGUGRM-UHFFFAOYSA-N
MW286.13 g/mol
LogP1.96
Rot. Bonds3

About 3-bromo-7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine

3-bromo-7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine (PubChem CID 18001292) has the molecular formula C10H12BrN3O2 and a molecular weight of 286.13 g/mol. Its IUPAC name is 3-bromo-7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine
PubChem CID18001292
Molecular FormulaC10H12BrN3O2
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name3-bromo-7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine
SMILESCOC(C)(OC)c1ccn2c(Br)cnc2n1
InChIInChI=1S/C10H12BrN3O2/c1-10(15-2,16-3)7-4-5-14-8(11)6-12-9(14)13-7/h4-6H,1-3H3
InChIKeyKTVVQVFMQGUGRM-UHFFFAOYSA-N
XLogP1.96
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 51.96
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 3-bromo-7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-bromo-7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine (CID 18001292) is 3-bromo-7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-bromo-7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine is COC(C)(OC)c1ccn2c(Br)cnc2n1.
What is the InChIKey of 3-bromo-7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is KTVVQVFMQGUGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2/c1-10(15-2,16-3)7-4-5-14-8(11)6-12-9(14)13-7/h4-6H,1-3H3.
What are the key properties of 3-bromo-7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine?
3-bromo-7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 286.13 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 18001292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).