4-N-[(2-fluorophenyl)methyl]quinazoline-4,6-diamine

C15H13FN4 — CID 64590253

IUPAC4-N-[(2-fluorophenyl)methyl]quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(NCc3ccccc3F)c2c1
InChIInChI=1S/C15H13FN4/c16-13-4-2-1-3-10(13)8-18-15-12-7-11(17)5-6-14(12)19-9-20-15/h1-7,9H,8,17H2,(H,18,19,20)
InChIKeyXHDQQSXBBHQZRA-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.96
Rot. Bonds3

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

4-N-[(2-fluorophenyl)methyl]quinazoline-4,6-diamine (PubChem CID 64590253) has the molecular formula C15H13FN4 and a molecular weight of 268.30 g/mol. Its IUPAC name is 4-N-[(2-fluorophenyl)methyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2-fluorophenyl)methyl]quinazoline-4,6-diamine
PubChem CID64590253
Molecular FormulaC15H13FN4
Molecular Weight268.30 g/mol
Exact Mass268.11
IUPAC Name4-N-[(2-fluorophenyl)methyl]quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(NCc3ccccc3F)c2c1
InChIInChI=1S/C15H13FN4/c16-13-4-2-1-3-10(13)8-18-15-12-7-11(17)5-6-14(12)19-9-20-15/h1-7,9H,8,17H2,(H,18,19,20)
InChIKeyXHDQQSXBBHQZRA-UHFFFAOYSA-N
XLogP2.96
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-N-[(2-fluorophenyl)methyl]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-fluorophenyl)quinazoline-4,6-diamine
CID 11379777
4-N-[(2-methylphenyl)methyl]quinazoline-4,7-diamine
CID 65336916
6-chloro-N-[(2-chlorophenyl)methyl]quinazolin-4-amine
CID 46879729
N-[(2,5-difluorophenyl)methyl]quinazolin-4-amine
CID 63373228
4-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981834
4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine
CID 64590268
4-N-[2-(2-pyridin-4-ylphenyl)ethyl]quinazoline-4,6-diamine
CID 139981788
4-N-[(5-chlorothiophen-2-yl)methyl]quinazoline-4,6-diamine
CID 64589914
4-N-(1,3-benzodioxol-5-ylmethyl)quinazoline-4,6-diamine
CID 89036055
3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol
CID 64587683
4-N-(4-fluorophenyl)quinazoline-4,6-diamine
CID 64590257
4-fluoro-3-[(quinazolin-4-ylamino)methyl]benzonitrile
CID 91643499

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-fluorophenyl)methyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[(2-fluorophenyl)methyl]quinazoline-4,6-diamine (CID 64590253) is 4-N-[(2-fluorophenyl)methyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[(2-fluorophenyl)methyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[(2-fluorophenyl)methyl]quinazoline-4,6-diamine is Nc1ccc2ncnc(NCc3ccccc3F)c2c1.
What is the InChIKey of 4-N-[(2-fluorophenyl)methyl]quinazoline-4,6-diamine?
The InChIKey is XHDQQSXBBHQZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4/c16-13-4-2-1-3-10(13)8-18-15-12-7-11(17)5-6-14(12)19-9-20-15/h1-7,9H,8,17H2,(H,18,19,20).
What are the key properties of 4-N-[(2-fluorophenyl)methyl]quinazoline-4,6-diamine?
4-N-[(2-fluorophenyl)methyl]quinazoline-4,6-diamine has a molecular weight of 268.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-fluorophenyl)methyl]quinazoline-4,6-diamine is sourced from PubChem (CID 64590253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).