4-N-(2-fluorophenyl)quinazoline-4,6-diamine

C14H11FN4 — CID 11379777

IUPAC4-N-(2-fluorophenyl)quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(Nc3ccccc3[18F])c2c1
InChIInChI=1S/C14H11FN4/c15-11-3-1-2-4-13(11)19-14-10-7-9(16)5-6-12(10)17-8-18-14/h1-8H,16H2,(H,17,18,19)/i15-1
InChIKeyABEZLFGWUPMVQE-HUYCHCPVSA-N
MW253.27 g/mol
LogP3.09
Rot. Bonds2

About 4-N-(2-fluorophenyl)quinazoline-4,6-diamine

4-N-(2-fluorophenyl)quinazoline-4,6-diamine (PubChem CID 11379777) has the molecular formula C14H11FN4 and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-N-(2-fluorophenyl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-fluorophenyl)quinazoline-4,6-diamine
PubChem CID11379777
Molecular FormulaC14H11FN4
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name4-N-(2-fluorophenyl)quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(Nc3ccccc3[18F])c2c1
InChIInChI=1S/C14H11FN4/c15-11-3-1-2-4-13(11)19-14-10-7-9(16)5-6-12(10)17-8-18-14/h1-8H,16H2,(H,17,18,19)/i15-1
InChIKeyABEZLFGWUPMVQE-HUYCHCPVSA-N
XLogP3.09
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-N-(2-fluorophenyl)quinazoline-4,6-diamine 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

4-N-(2-methylsulfanylphenyl)quinazoline-4,6-diamine
CID 107643406
4-N-(4-fluorophenyl)quinazoline-4,6-diamine
CID 64590257
4-N-[(2-fluorophenyl)methyl]quinazoline-4,6-diamine
CID 64590253
N-(2-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
CID 118736896
4-N-(4-chloro-2-iodophenyl)quinazoline-4,6-diamine
CID 107634128
4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride
CID 21217673
4-N-(3-fluoro-5-methylphenyl)quinazoline-4,6-diamine
CID 79048465
4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine
CID 65336921
4-N-(4-iodophenyl)quinazoline-4,6-diamine
CID 64588865
4-N-(4-bromo-2,3-dichlorophenyl)quinazoline-4,6-diamine
CID 107786960
8-fluoro-N-(2-fluorophenyl)quinazolin-4-amine
CID 110434659
ethane;4-N-methylquinazoline-4,6-diamine
CID 91218753

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluorophenyl)quinazoline-4,6-diamine?
The IUPAC name of 4-N-(2-fluorophenyl)quinazoline-4,6-diamine (CID 11379777) is 4-N-(2-fluorophenyl)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(2-fluorophenyl)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(2-fluorophenyl)quinazoline-4,6-diamine is Nc1ccc2ncnc(Nc3ccccc3[18F])c2c1.
What is the InChIKey of 4-N-(2-fluorophenyl)quinazoline-4,6-diamine?
The InChIKey is ABEZLFGWUPMVQE-HUYCHCPVSA-N. The full InChI is InChI=1S/C14H11FN4/c15-11-3-1-2-4-13(11)19-14-10-7-9(16)5-6-12(10)17-8-18-14/h1-8H,16H2,(H,17,18,19)/i15-1.
What are the key properties of 4-N-(2-fluorophenyl)quinazoline-4,6-diamine?
4-N-(2-fluorophenyl)quinazoline-4,6-diamine has a molecular weight of 253.27 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluorophenyl)quinazoline-4,6-diamine is sourced from PubChem (CID 11379777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).