4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine

C16H15FN4 — CID 64590268

IUPAC4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(NCCc3cccc(F)c3)c2c1
InChIInChI=1S/C16H15FN4/c17-12-3-1-2-11(8-12)6-7-19-16-14-9-13(18)4-5-15(14)20-10-21-16/h1-5,8-10H,6-7,18H2,(H,19,20,21)
InChIKeyWYNDESXQPFGCJP-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.01
Rot. Bonds4

About 4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine

4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine (PubChem CID 64590268) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine
PubChem CID64590268
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(NCCc3cccc(F)c3)c2c1
InChIInChI=1S/C16H15FN4/c17-12-3-1-2-11(8-12)6-7-19-16-14-9-13(18)4-5-15(14)20-10-21-16/h1-5,8-10H,6-7,18H2,(H,19,20,21)
InChIKeyWYNDESXQPFGCJP-UHFFFAOYSA-N
XLogP3.01
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine
CID 25175672
4-N-[2-(3-chlorophenyl)ethyl]quinazoline-4,6-diamine
CID 509543
4-N-[2-[3-(2-fluoroethoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981903
4-N-[2-(3-propoxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981922
4-N-[2-(3-cyclobutyloxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981896
4-N-[2-[3-(4-methoxyphenoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981946
4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]pentyl]quinazoline-4,6-diamine
CID 69221619
4-N-[2-[3-(3-methylbutoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981974
4-N-[2-(3-butan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981855
4-N-[2-[3-(pyrazin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981850
6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine
CID 171352860
4-N-[2-[3-[(5-methylthiophen-2-yl)methoxy]phenyl]ethyl]quinazoline-4,6-diamine
CID 139981796

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine (CID 64590268) is 4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine is Nc1ccc2ncnc(NCCc3cccc(F)c3)c2c1.
What is the InChIKey of 4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine?
The InChIKey is WYNDESXQPFGCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c17-12-3-1-2-11(8-12)6-7-19-16-14-9-13(18)4-5-15(14)20-10-21-16/h1-5,8-10H,6-7,18H2,(H,19,20,21).
What are the key properties of 4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine?
4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine has a molecular weight of 282.32 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine is sourced from PubChem (CID 64590268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).