N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)quinazolin-4-amine

C12H11BrF3N3 — CID 107490379

IUPACN-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)quinazolin-4-amine
SMILESFC(F)(F)CN(CCBr)c1ncnc2ccccc12
InChIInChI=1S/C12H11BrF3N3/c13-5-6-19(7-12(14,15)16)11-9-3-1-2-4-10(9)17-8-18-11/h1-4,8H,5-7H2
InChIKeyNDPQJRRKUPYBTE-UHFFFAOYSA-N
MW334.14 g/mol
LogP3.39
Rot. Bonds4

About N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)quinazolin-4-amine

N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)quinazolin-4-amine (PubChem CID 107490379) has the molecular formula C12H11BrF3N3 and a molecular weight of 334.14 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)quinazolin-4-amine
PubChem CID107490379
Molecular FormulaC12H11BrF3N3
Molecular Weight334.14 g/mol
Exact Mass333.01
IUPAC NameN-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)quinazolin-4-amine
SMILESFC(F)(F)CN(CCBr)c1ncnc2ccccc12
InChIInChI=1S/C12H11BrF3N3/c13-5-6-19(7-12(14,15)16)11-9-3-1-2-4-10(9)17-8-18-11/h1-4,8H,5-7H2
InChIKeyNDPQJRRKUPYBTE-UHFFFAOYSA-N
XLogP3.39
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.14
LogP ≤ 53.39
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-(2,2,2-trifluoroethyl)quinazolin-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

Related Compounds

3-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 107490411
N-(3-bromopropyl)-N-propan-2-ylquinazolin-4-amine
CID 80674456
N,N-bis(2-methoxyethyl)quinazolin-4-amine
CID 21104388
N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride
CID 18590526
N-butyl-N-ethylquinazolin-4-amine
CID 110433588
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)isoquinolin-1-amine
CID 107490693
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 107490223
2-[butyl(quinazolin-4-yl)amino]ethanol
CID 61448133
N-(2-bromoethyl)-3,5-difluoro-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 107490362
N,N-dimethylquinazolin-4-amine;hydrochloride
CID 174283261
N'-thieno[3,2-d]pyrimidin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494341
5-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 107490318

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)quinazolin-4-amine?
The IUPAC name of N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)quinazolin-4-amine (CID 107490379) is N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)quinazolin-4-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)quinazolin-4-amine?
The canonical SMILES for N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)quinazolin-4-amine is FC(F)(F)CN(CCBr)c1ncnc2ccccc12.
What is the InChIKey of N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)quinazolin-4-amine?
The InChIKey is NDPQJRRKUPYBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF3N3/c13-5-6-19(7-12(14,15)16)11-9-3-1-2-4-10(9)17-8-18-11/h1-4,8H,5-7H2.
What are the key properties of N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)quinazolin-4-amine?
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)quinazolin-4-amine has a molecular weight of 334.14 g/mol, XLogP of 3.39, 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-(2,2,2-trifluoroethyl)quinazolin-4-amine is sourced from PubChem (CID 107490379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).