4-N-(3-fluoro-5-methylphenyl)quinazoline-4,6-diamine

C15H13FN4 — CID 79048465

IUPAC4-N-(3-fluoro-5-methylphenyl)quinazoline-4,6-diamine
SMILESCc1cc(F)cc(Nc2ncnc3ccc(N)cc23)c1
InChIInChI=1S/C15H13FN4/c1-9-4-10(16)6-12(5-9)20-15-13-7-11(17)2-3-14(13)18-8-19-15/h2-8H,17H2,1H3,(H,18,19,20)
InChIKeyXVYDEKPQIWNENA-UHFFFAOYSA-N
MW268.30 g/mol
LogP3.40
Rot. Bonds2

About 4-N-(3-fluoro-5-methylphenyl)quinazoline-4,6-diamine

4-N-(3-fluoro-5-methylphenyl)quinazoline-4,6-diamine (PubChem CID 79048465) has the molecular formula C15H13FN4 and a molecular weight of 268.30 g/mol. Its IUPAC name is 4-N-(3-fluoro-5-methylphenyl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-fluoro-5-methylphenyl)quinazoline-4,6-diamine
PubChem CID79048465
Molecular FormulaC15H13FN4
Molecular Weight268.30 g/mol
Exact Mass268.11
IUPAC Name4-N-(3-fluoro-5-methylphenyl)quinazoline-4,6-diamine
SMILESCc1cc(F)cc(Nc2ncnc3ccc(N)cc23)c1
InChIInChI=1S/C15H13FN4/c1-9-4-10(16)6-12(5-9)20-15-13-7-11(17)2-3-14(13)18-8-19-15/h2-8H,17H2,1H3,(H,18,19,20)
InChIKeyXVYDEKPQIWNENA-UHFFFAOYSA-N
XLogP3.40
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluoro-5-methylphenyl)quinazoline-4,6-diamine?
The IUPAC name of 4-N-(3-fluoro-5-methylphenyl)quinazoline-4,6-diamine (CID 79048465) is 4-N-(3-fluoro-5-methylphenyl)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(3-fluoro-5-methylphenyl)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(3-fluoro-5-methylphenyl)quinazoline-4,6-diamine is Cc1cc(F)cc(Nc2ncnc3ccc(N)cc23)c1.
What is the InChIKey of 4-N-(3-fluoro-5-methylphenyl)quinazoline-4,6-diamine?
The InChIKey is XVYDEKPQIWNENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4/c1-9-4-10(16)6-12(5-9)20-15-13-7-11(17)2-3-14(13)18-8-19-15/h2-8H,17H2,1H3,(H,18,19,20).
What are the key properties of 4-N-(3-fluoro-5-methylphenyl)quinazoline-4,6-diamine?
4-N-(3-fluoro-5-methylphenyl)quinazoline-4,6-diamine has a molecular weight of 268.30 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluoro-5-methylphenyl)quinazoline-4,6-diamine is sourced from PubChem (CID 79048465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).