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

C12H18BrN3 — CID 80673331

IUPACN-(2-bromoethyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCN(CCBr)c1ncnc2c1CCCC2
InChIInChI=1S/C12H18BrN3/c1-2-16(8-7-13)12-10-5-3-4-6-11(10)14-9-15-12/h9H,2-8H2,1H3
InChIKeyUJHDGTTUNIYSCG-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.58
Rot. Bonds4

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

N-(2-bromoethyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 80673331) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID80673331
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC NameN-(2-bromoethyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCN(CCBr)c1ncnc2c1CCCC2
InChIInChI=1S/C12H18BrN3/c1-2-16(8-7-13)12-10-5-3-4-6-11(10)14-9-15-12/h9H,2-8H2,1H3
InChIKeyUJHDGTTUNIYSCG-UHFFFAOYSA-N
XLogP2.58
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.58
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-ethyl-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-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-(2-bromoethyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 80673331) is N-(2-bromoethyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-(2-bromoethyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine is CCN(CCBr)c1ncnc2c1CCCC2.
What is the InChIKey of N-(2-bromoethyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is UJHDGTTUNIYSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-2-16(8-7-13)12-10-5-3-4-6-11(10)14-9-15-12/h9H,2-8H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
N-(2-bromoethyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 284.20 g/mol, XLogP of 2.58, 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-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 80673331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).