N-(4-bromopentan-2-yl)quinazolin-2-amine

C13H16BrN3 — CID 114789890

IUPACN-(4-bromopentan-2-yl)quinazolin-2-amine
SMILESCC(Br)CC(C)Nc1ncc2ccccc2n1
InChIInChI=1S/C13H16BrN3/c1-9(14)7-10(2)16-13-15-8-11-5-3-4-6-12(11)17-13/h3-6,8-10H,7H2,1-2H3,(H,15,16,17)
InChIKeyYNNWZZDTTDHKTQ-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.60
Rot. Bonds4

About N-(4-bromopentan-2-yl)quinazolin-2-amine

N-(4-bromopentan-2-yl)quinazolin-2-amine (PubChem CID 114789890) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is N-(4-bromopentan-2-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(4-bromopentan-2-yl)quinazolin-2-amine
PubChem CID114789890
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC NameN-(4-bromopentan-2-yl)quinazolin-2-amine
SMILESCC(Br)CC(C)Nc1ncc2ccccc2n1
InChIInChI=1S/C13H16BrN3/c1-9(14)7-10(2)16-13-15-8-11-5-3-4-6-12(11)17-13/h3-6,8-10H,7H2,1-2H3,(H,15,16,17)
InChIKeyYNNWZZDTTDHKTQ-UHFFFAOYSA-N
XLogP3.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromopentan-2-yl)quinazolin-2-amine?
The IUPAC name of N-(4-bromopentan-2-yl)quinazolin-2-amine (CID 114789890) is N-(4-bromopentan-2-yl)quinazolin-2-amine.
What is the SMILES notation for N-(4-bromopentan-2-yl)quinazolin-2-amine?
The canonical SMILES for N-(4-bromopentan-2-yl)quinazolin-2-amine is CC(Br)CC(C)Nc1ncc2ccccc2n1.
What is the InChIKey of N-(4-bromopentan-2-yl)quinazolin-2-amine?
The InChIKey is YNNWZZDTTDHKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-9(14)7-10(2)16-13-15-8-11-5-3-4-6-12(11)17-13/h3-6,8-10H,7H2,1-2H3,(H,15,16,17).
What are the key properties of N-(4-bromopentan-2-yl)quinazolin-2-amine?
N-(4-bromopentan-2-yl)quinazolin-2-amine has a molecular weight of 294.20 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromopentan-2-yl)quinazolin-2-amine is sourced from PubChem (CID 114789890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).