6-fluoro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine

C15H11F2N3 — CID 51037431

IUPAC6-fluoro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine
SMILESFc1ccc(CNc2ncnc3ccc(F)cc23)cc1
InChIInChI=1S/C15H11F2N3/c16-11-3-1-10(2-4-11)8-18-15-13-7-12(17)5-6-14(13)19-9-20-15/h1-7,9H,8H2,(H,18,19,20)
InChIKeyAWIVHRPYFSSVOG-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.52
Rot. Bonds3

About 6-fluoro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine

6-fluoro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine (PubChem CID 51037431) has the molecular formula C15H11F2N3 and a molecular weight of 271.27 g/mol. Its IUPAC name is 6-fluoro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine
PubChem CID51037431
Molecular FormulaC15H11F2N3
Molecular Weight271.27 g/mol
Exact Mass271.09
IUPAC Name6-fluoro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine
SMILESFc1ccc(CNc2ncnc3ccc(F)cc23)cc1
InChIInChI=1S/C15H11F2N3/c16-11-3-1-10(2-4-11)8-18-15-13-7-12(17)5-6-14(13)19-9-20-15/h1-7,9H,8H2,(H,18,19,20)
InChIKeyAWIVHRPYFSSVOG-UHFFFAOYSA-N
XLogP3.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Quinazoline
CID 9210
4-Aminoquinazoline
CID 84759
Ngd-8243
CID 11247522
2,4-Diaminoquinazoline
CID 65087
1-(4-Methylquinazolin-2-yl)guanidine
CID 345657
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
6-Aminoquinazoline
CID 589288
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
N4-(3-Bromophenyl)quinazoline-4,6-diamine
CID 5328042
Smer 28
CID 1560402
2,4,6-Triaminoquinazoline
CID 292661
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine?
The IUPAC name of 6-fluoro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine (CID 51037431) is 6-fluoro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine is Fc1ccc(CNc2ncnc3ccc(F)cc23)cc1.
What is the InChIKey of 6-fluoro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine?
The InChIKey is AWIVHRPYFSSVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3/c16-11-3-1-10(2-4-11)8-18-15-13-7-12(17)5-6-14(13)19-9-20-15/h1-7,9H,8H2,(H,18,19,20).
What are the key properties of 6-fluoro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine?
6-fluoro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine has a molecular weight of 271.27 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 51037431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).