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

C14H11FN4 — CID 64590257

IUPAC4-N-(4-fluorophenyl)quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(Nc3ccc(F)cc3)c2c1
InChIInChI=1S/C14H11FN4/c15-9-1-4-11(5-2-9)19-14-12-7-10(16)3-6-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)
InChIKeyYGOQUVJTVTUBSN-UHFFFAOYSA-N
MW254.27 g/mol
LogP3.09
Rot. Bonds2

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

4-N-(4-fluorophenyl)quinazoline-4,6-diamine (PubChem CID 64590257) has the molecular formula C14H11FN4 and a molecular weight of 254.27 g/mol. Its IUPAC name is 4-N-(4-fluorophenyl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-fluorophenyl)quinazoline-4,6-diamine
PubChem CID64590257
Molecular FormulaC14H11FN4
Molecular Weight254.27 g/mol
Exact Mass254.10
IUPAC Name4-N-(4-fluorophenyl)quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(Nc3ccc(F)cc3)c2c1
InChIInChI=1S/C14H11FN4/c15-9-1-4-11(5-2-9)19-14-12-7-10(16)3-6-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)
InChIKeyYGOQUVJTVTUBSN-UHFFFAOYSA-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 ≤ 500254.27
LogP ≤ 53.09
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

4-N-(4-iodophenyl)quinazoline-4,6-diamine
CID 64588865
4-N-(3-fluoro-5-methylphenyl)quinazoline-4,6-diamine
CID 79048465
4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride
CID 21217673
4-N-(4-propylphenyl)quinazoline-4,6-diamine
CID 64589074
4-N-(2-fluorophenyl)quinazoline-4,6-diamine
CID 11379777
4-N,6-N-bis(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19148988
2-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]acetonitrile
CID 64589511
ethane;4-N-methylquinazoline-4,6-diamine
CID 91218753
4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19148779
4-N-(2-methylsulfanylphenyl)quinazoline-4,6-diamine
CID 107643406
6-methyl-N-(4-methylphenyl)quinazolin-4-amine
CID 5328827
N-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]-2-(diethylamino)acetamide
CID 141333726

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluorophenyl)quinazoline-4,6-diamine?
The IUPAC name of 4-N-(4-fluorophenyl)quinazoline-4,6-diamine (CID 64590257) is 4-N-(4-fluorophenyl)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(4-fluorophenyl)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(4-fluorophenyl)quinazoline-4,6-diamine is Nc1ccc2ncnc(Nc3ccc(F)cc3)c2c1.
What is the InChIKey of 4-N-(4-fluorophenyl)quinazoline-4,6-diamine?
The InChIKey is YGOQUVJTVTUBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4/c15-9-1-4-11(5-2-9)19-14-12-7-10(16)3-6-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19).
What are the key properties of 4-N-(4-fluorophenyl)quinazoline-4,6-diamine?
4-N-(4-fluorophenyl)quinazoline-4,6-diamine has a molecular weight of 254.27 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-(4-fluorophenyl)quinazoline-4,6-diamine is sourced from PubChem (CID 64590257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).