N-(2-bromoethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinazolin-4-amine

C13H18BrN3 — CID 80667019

IUPACN-(2-bromoethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESBrCCN(c1ncnc2c1CCCC2)C1CC1
InChIInChI=1S/C13H18BrN3/c14-7-8-17(10-5-6-10)13-11-3-1-2-4-12(11)15-9-16-13/h9-10H,1-8H2
InChIKeyBXGXMKFENWYWIN-UHFFFAOYSA-N
MW296.21 g/mol
LogP2.72
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinazolin-4-amine

N-(2-bromoethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 80667019) has the molecular formula C13H18BrN3 and a molecular weight of 296.21 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID80667019
Molecular FormulaC13H18BrN3
Molecular Weight296.21 g/mol
Exact Mass295.07
IUPAC NameN-(2-bromoethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESBrCCN(c1ncnc2c1CCCC2)C1CC1
InChIInChI=1S/C13H18BrN3/c14-7-8-17(10-5-6-10)13-11-3-1-2-4-12(11)15-9-16-13/h9-10H,1-8H2
InChIKeyBXGXMKFENWYWIN-UHFFFAOYSA-N
XLogP2.72
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-bromoethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-(2-bromoethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 80667019) is N-(2-bromoethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinazolin-4-amine is BrCCN(c1ncnc2c1CCCC2)C1CC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is BXGXMKFENWYWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3/c14-7-8-17(10-5-6-10)13-11-3-1-2-4-12(11)15-9-16-13/h9-10H,1-8H2.
What are the key properties of N-(2-bromoethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinazolin-4-amine?
N-(2-bromoethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 296.21 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 80667019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).