5-fluoro-3-methylquinazolin-4-imine

C9H8FN3 — CID 2741487

IUPAC5-fluoro-3-methylquinazolin-4-imine
SMILES[H]/N=c1/c2c(F)cccc2ncn1C
InChIInChI=1S/C9H8FN3/c1-13-5-12-7-4-2-3-6(10)8(7)9(13)11/h2-5,11H,1H3/b11-9-
InChIKeyLAJYDMNSOKYRTB-LUAWRHEFSA-N
MW177.18 g/mol
LogP1.19
Rot. Bonds

About 5-fluoro-3-methylquinazolin-4-imine

5-fluoro-3-methylquinazolin-4-imine (PubChem CID 2741487) has the molecular formula C9H8FN3 and a molecular weight of 177.18 g/mol. Its IUPAC name is 5-fluoro-3-methylquinazolin-4-imine.

Molecular Properties

Compound Name5-fluoro-3-methylquinazolin-4-imine
PubChem CID2741487
Molecular FormulaC9H8FN3
Molecular Weight177.18 g/mol
Exact Mass177.07
IUPAC Name5-fluoro-3-methylquinazolin-4-imine
SMILES[H]/N=c1/c2c(F)cccc2ncn1C
InChIInChI=1S/C9H8FN3/c1-13-5-12-7-4-2-3-6(10)8(7)9(13)11/h2-5,11H,1H3/b11-9-
InChIKeyLAJYDMNSOKYRTB-LUAWRHEFSA-N
XLogP1.19
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Deoxypeganine
CID 442894
2,3-dihydropyrrolo(2,1-b)quinazolin-9(1H)-imine
CID 21094663
7,8,9,10,11,12,13,14,15,16-decahydroazacyclotridecino[2,1-b]quinazolin-18(6H)-imine
CID 3609939
6,8,9,11-Tetrahydro-7H-pyrido[2,1-b]quinazoline
CID 6420076
6-phenyl-3,4-dihydro-2H-pyrimido[1,2-c]quinazoline
CID 403513
7,8,9,10-Tetrahydro-6H-azepino[2,1-b]quinazolin-12-ylideneamine
CID 317299
6,7,8,9,10,12-Hexahydroazepino[2,1-b]quinazoline
CID 10241903
3-[1-(2-Fluoro-phenyl)-meth-(E)-ylidene]-1,2,3,9-tetrahydro-pyrrolo[2,1-b]quinazoline
CID 44391276
3-Methyl-4(3H)-quinazolinethione
CID 261671
7,8,9,10,11,12-Hexahydroazonino[2,1-b]quinazolin-14(6H)-imine
CID 317300
6,7,8,9,10,11-Hexahydroazocino[2,1-b]quinazolin-13-imine
CID 12246088
N-[2,3-dihydropyrrolo[2,1-b]quinazoline-9(1H)-ylidenebutan-1-amine
CID 16082582

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methylquinazolin-4-imine?
The IUPAC name of 5-fluoro-3-methylquinazolin-4-imine (CID 2741487) is 5-fluoro-3-methylquinazolin-4-imine.
What is the SMILES notation for 5-fluoro-3-methylquinazolin-4-imine?
The canonical SMILES for 5-fluoro-3-methylquinazolin-4-imine is [H]/N=c1/c2c(F)cccc2ncn1C.
What is the InChIKey of 5-fluoro-3-methylquinazolin-4-imine?
The InChIKey is LAJYDMNSOKYRTB-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H8FN3/c1-13-5-12-7-4-2-3-6(10)8(7)9(13)11/h2-5,11H,1H3/b11-9-.
What are the key properties of 5-fluoro-3-methylquinazolin-4-imine?
5-fluoro-3-methylquinazolin-4-imine has a molecular weight of 177.18 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methylquinazolin-4-imine is sourced from PubChem (CID 2741487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).