2-(5-bromo-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde

C14H14BrN3O2 — CID 136995593

IUPAC2-(5-bromo-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde
SMILESCOc1ccc(Br)cc1-c1nc2n(c1C=O)CCCN2
InChIInChI=1S/C14H14BrN3O2/c1-20-12-4-3-9(15)7-10(12)13-11(8-19)18-6-2-5-16-14(18)17-13/h3-4,7-8H,2,5-6H2,1H3,(H,16,17)
InChIKeyYGPUUZJDZRWQLG-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.95
Rot. Bonds3

About 2-(5-bromo-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde

2-(5-bromo-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 136995593) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID136995593
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name2-(5-bromo-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde
SMILESCOc1ccc(Br)cc1-c1nc2n(c1C=O)CCCN2
InChIInChI=1S/C14H14BrN3O2/c1-20-12-4-3-9(15)7-10(12)13-11(8-19)18-6-2-5-16-14(18)17-13/h3-4,7-8H,2,5-6H2,1H3,(H,16,17)
InChIKeyYGPUUZJDZRWQLG-UHFFFAOYSA-N
XLogP2.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2,4,5-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde
CID 136995601
3-bromo-2-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136995360
3-bromo-2-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136995353
4-(5-bromo-2-methoxyphenyl)-1,3-oxazole-5-carbaldehyde
CID 82134718
4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde
CID 82135444
6-(2-methoxy-5-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 82367452
4-(5-bromo-2-methoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82308864
4-(5-bromo-2-methoxyphenyl)pyrimidine-2-carbaldehyde
CID 116900212
5-bromo-4-(5-bromo-2-methoxyphenyl)-6-chloropyrimidin-2-amine
CID 24946892
3-(5-bromo-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole-1-carboxamide
CID 4018025
4-[3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-1,4-diazepan-2-one
CID 76976758
2-(5-bromo-2-methoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 3814349

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde (CID 136995593) is 2-(5-bromo-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde is COc1ccc(Br)cc1-c1nc2n(c1C=O)CCCN2.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is YGPUUZJDZRWQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-20-12-4-3-9(15)7-10(12)13-11(8-19)18-6-2-5-16-14(18)17-13/h3-4,7-8H,2,5-6H2,1H3,(H,16,17).
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde?
2-(5-bromo-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 336.19 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 136995593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).