N-butyl-6-fluoro-2-(trifluoromethyl)quinazolin-4-amine

C13H13F4N3 — CID 110431648

IUPACN-butyl-6-fluoro-2-(trifluoromethyl)quinazolin-4-amine
SMILESCCCCNc1nc(C(F)(F)F)nc2ccc(F)cc12
InChIInChI=1S/C13H13F4N3/c1-2-3-6-18-11-9-7-8(14)4-5-10(9)19-12(20-11)13(15,16)17/h4-5,7H,2-3,6H2,1H3,(H,18,19,20)
InChIKeyZTXDINUHQWUCHE-UHFFFAOYSA-N
MW287.26 g/mol
LogP4.00
Rot. Bonds4

About N-butyl-6-fluoro-2-(trifluoromethyl)quinazolin-4-amine

N-butyl-6-fluoro-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 110431648) has the molecular formula C13H13F4N3 and a molecular weight of 287.26 g/mol. Its IUPAC name is N-butyl-6-fluoro-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-butyl-6-fluoro-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID110431648
Molecular FormulaC13H13F4N3
Molecular Weight287.26 g/mol
Exact Mass287.10
IUPAC NameN-butyl-6-fluoro-2-(trifluoromethyl)quinazolin-4-amine
SMILESCCCCNc1nc(C(F)(F)F)nc2ccc(F)cc12
InChIInChI=1S/C13H13F4N3/c1-2-3-6-18-11-9-7-8(14)4-5-10(9)19-12(20-11)13(15,16)17/h4-5,7H,2-3,6H2,1H3,(H,18,19,20)
InChIKeyZTXDINUHQWUCHE-UHFFFAOYSA-N
XLogP4.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-6-fluoro-2-(trifluoromethyl)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

6-bromo-N-propyl-2-(trifluoromethyl)quinazolin-4-amine
CID 64981430
6-chloro-N-propyl-2-(trifluoromethyl)quinazolin-4-amine
CID 64981017
N-butyl-7-methoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 110431380
6-fluoro-N-phenyl-2-(trifluoromethyl)quinazolin-4-amine
CID 110434628
N-ethyl-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 64981586
6-fluoro-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110431666
N-butyl-6-(trifluoromethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 76847016
1-N-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 110434640
8-fluoro-N-hexyl-2-(trifluoromethyl)quinazolin-4-amine
CID 110431796
2-(butylamino)-6-fluoro-3,1-benzoxazin-4-one
CID 102236312
4-chloro-6-fluoro-2-(trifluoromethyl)quinazoline
CID 34176284
N-ethyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003229

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-fluoro-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-butyl-6-fluoro-2-(trifluoromethyl)quinazolin-4-amine (CID 110431648) is N-butyl-6-fluoro-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-butyl-6-fluoro-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-butyl-6-fluoro-2-(trifluoromethyl)quinazolin-4-amine is CCCCNc1nc(C(F)(F)F)nc2ccc(F)cc12.
What is the InChIKey of N-butyl-6-fluoro-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is ZTXDINUHQWUCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4N3/c1-2-3-6-18-11-9-7-8(14)4-5-10(9)19-12(20-11)13(15,16)17/h4-5,7H,2-3,6H2,1H3,(H,18,19,20).
What are the key properties of N-butyl-6-fluoro-2-(trifluoromethyl)quinazolin-4-amine?
N-butyl-6-fluoro-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 287.26 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-fluoro-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 110431648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).