3-bromo-7-tert-butylimidazo[1,2-a]pyrimidine

C10H12BrN3 — CID 18001287

IUPAC3-bromo-7-tert-butylimidazo[1,2-a]pyrimidine
SMILESCC(C)(C)c1ccn2c(Br)cnc2n1
InChIInChI=1S/C10H12BrN3/c1-10(2,3)7-4-5-14-8(11)6-12-9(14)13-7/h4-6H,1-3H3
InChIKeyWIZOZNKWZCJQPB-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.79
Rot. Bonds

About 3-bromo-7-tert-butylimidazo[1,2-a]pyrimidine

3-bromo-7-tert-butylimidazo[1,2-a]pyrimidine (PubChem CID 18001287) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 3-bromo-7-tert-butylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-tert-butylimidazo[1,2-a]pyrimidine
PubChem CID18001287
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name3-bromo-7-tert-butylimidazo[1,2-a]pyrimidine
SMILESCC(C)(C)c1ccn2c(Br)cnc2n1
InChIInChI=1S/C10H12BrN3/c1-10(2,3)7-4-5-14-8(11)6-12-9(14)13-7/h4-6H,1-3H3
InChIKeyWIZOZNKWZCJQPB-UHFFFAOYSA-N
XLogP2.79
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-tert-butylimidazo[1,2-a]pyrimidine?
The IUPAC name of 3-bromo-7-tert-butylimidazo[1,2-a]pyrimidine (CID 18001287) is 3-bromo-7-tert-butylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-tert-butylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-bromo-7-tert-butylimidazo[1,2-a]pyrimidine is CC(C)(C)c1ccn2c(Br)cnc2n1.
What is the InChIKey of 3-bromo-7-tert-butylimidazo[1,2-a]pyrimidine?
The InChIKey is WIZOZNKWZCJQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-10(2,3)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-tert-butylimidazo[1,2-a]pyrimidine?
3-bromo-7-tert-butylimidazo[1,2-a]pyrimidine has a molecular weight of 254.13 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-tert-butylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 18001287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).