8-bromo-5-chloro-7-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine

C7H7BrClN3 — CID 156697428

IUPAC8-bromo-5-chloro-7-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine
SMILESCC1=C(Br)C2=NCCN2C(Cl)=N1
InChIInChI=1S/C7H7BrClN3/c1-4-5(8)6-10-2-3-12(6)7(9)11-4/h2-3H2,1H3
InChIKeyOQPKGIDSAAJKDZ-UHFFFAOYSA-N
MW248.51 g/mol
LogP1.94
Rot. Bonds

About 8-bromo-5-chloro-7-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine

8-bromo-5-chloro-7-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine (PubChem CID 156697428) has the molecular formula C7H7BrClN3 and a molecular weight of 248.51 g/mol. Its IUPAC name is 8-bromo-5-chloro-7-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name8-bromo-5-chloro-7-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine
PubChem CID156697428
Molecular FormulaC7H7BrClN3
Molecular Weight248.51 g/mol
Exact Mass246.95
IUPAC Name8-bromo-5-chloro-7-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine
SMILESCC1=C(Br)C2=NCCN2C(Cl)=N1
InChIInChI=1S/C7H7BrClN3/c1-4-5(8)6-10-2-3-12(6)7(9)11-4/h2-3H2,1H3
InChIKeyOQPKGIDSAAJKDZ-UHFFFAOYSA-N
XLogP1.94
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.51
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-chloro-7-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
The IUPAC name of 8-bromo-5-chloro-7-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine (CID 156697428) is 8-bromo-5-chloro-7-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine.
What is the SMILES notation for 8-bromo-5-chloro-7-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
The canonical SMILES for 8-bromo-5-chloro-7-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine is CC1=C(Br)C2=NCCN2C(Cl)=N1.
What is the InChIKey of 8-bromo-5-chloro-7-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
The InChIKey is OQPKGIDSAAJKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClN3/c1-4-5(8)6-10-2-3-12(6)7(9)11-4/h2-3H2,1H3.
What are the key properties of 8-bromo-5-chloro-7-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
8-bromo-5-chloro-7-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine has a molecular weight of 248.51 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-chloro-7-methyl-2,3-dihydroimidazo[1,2-c]pyrimidine is sourced from PubChem (CID 156697428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).