6-bromo-N-(3-imidazol-1-ylpropyl)quinazolin-2-amine

C14H14BrN5 — CID 172881986

IUPAC6-bromo-N-(3-imidazol-1-ylpropyl)quinazolin-2-amine
SMILESBrc1ccc2nc(NCCCn3ccnc3)ncc2c1
InChIInChI=1S/C14H14BrN5/c15-12-2-3-13-11(8-12)9-18-14(19-13)17-4-1-6-20-7-5-16-10-20/h2-3,5,7-10H,1,4,6H2,(H,17,18,19)
InChIKeyIHOLXBAEUINMNO-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.09
Rot. Bonds5

About 6-bromo-N-(3-imidazol-1-ylpropyl)quinazolin-2-amine

6-bromo-N-(3-imidazol-1-ylpropyl)quinazolin-2-amine (PubChem CID 172881986) has the molecular formula C14H14BrN5 and a molecular weight of 332.20 g/mol. Its IUPAC name is 6-bromo-N-(3-imidazol-1-ylpropyl)quinazolin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(3-imidazol-1-ylpropyl)quinazolin-2-amine
PubChem CID172881986
Molecular FormulaC14H14BrN5
Molecular Weight332.20 g/mol
Exact Mass331.04
IUPAC Name6-bromo-N-(3-imidazol-1-ylpropyl)quinazolin-2-amine
SMILESBrc1ccc2nc(NCCCn3ccnc3)ncc2c1
InChIInChI=1S/C14H14BrN5/c15-12-2-3-13-11(8-12)9-18-14(19-13)17-4-1-6-20-7-5-16-10-20/h2-3,5,7-10H,1,4,6H2,(H,17,18,19)
InChIKeyIHOLXBAEUINMNO-UHFFFAOYSA-N
XLogP3.09
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
CID 62960707
2-(3-imidazol-1-ylpropylamino)pyrimidine-4-carboxylic acid
CID 107553286
1-[2-(3-imidazol-1-ylpropylamino)-4-methylpyrimidin-5-yl]ethanone
CID 72892657
2-(3-imidazol-1-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543580
5-fluoro-2-N-(3-imidazol-1-ylpropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 135106368
4-N-(3-imidazol-1-ylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80753852
5-bromo-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 65307454
N-(3-imidazol-1-ylpropyl)-4-(3-nitrophenyl)pyrimidin-2-amine
CID 46227556
5-bromo-2-(3-imidazol-1-ylpropoxy)benzenesulfonamide
CID 82914402
5-bromo-2-(3-imidazol-1-ylpropoxy)benzenesulfonyl chloride
CID 82909606
5-bromo-N-(2-imidazol-1-ylethyl)-4-methoxypyrimidin-2-amine
CID 113434060
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970837

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-imidazol-1-ylpropyl)quinazolin-2-amine?
The IUPAC name of 6-bromo-N-(3-imidazol-1-ylpropyl)quinazolin-2-amine (CID 172881986) is 6-bromo-N-(3-imidazol-1-ylpropyl)quinazolin-2-amine.
What is the SMILES notation for 6-bromo-N-(3-imidazol-1-ylpropyl)quinazolin-2-amine?
The canonical SMILES for 6-bromo-N-(3-imidazol-1-ylpropyl)quinazolin-2-amine is Brc1ccc2nc(NCCCn3ccnc3)ncc2c1.
What is the InChIKey of 6-bromo-N-(3-imidazol-1-ylpropyl)quinazolin-2-amine?
The InChIKey is IHOLXBAEUINMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5/c15-12-2-3-13-11(8-12)9-18-14(19-13)17-4-1-6-20-7-5-16-10-20/h2-3,5,7-10H,1,4,6H2,(H,17,18,19).
What are the key properties of 6-bromo-N-(3-imidazol-1-ylpropyl)quinazolin-2-amine?
6-bromo-N-(3-imidazol-1-ylpropyl)quinazolin-2-amine has a molecular weight of 332.20 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-imidazol-1-ylpropyl)quinazolin-2-amine is sourced from PubChem (CID 172881986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).