5-fluoro-7,8-dimethyl-4-methylidene-7,8-dihydro-3H-quinazolin-2-amine

C11H14FN3 — CID 142610604

IUPAC5-fluoro-7,8-dimethyl-4-methylidene-7,8-dihydro-3H-quinazolin-2-amine
SMILESC=C1NC(N)=NC2=C1C(F)=CC(C)C2C
InChIInChI=1S/C11H14FN3/c1-5-4-8(12)9-7(3)14-11(13)15-10(9)6(5)2/h4-6H,3H2,1-2H3,(H3,13,14,15)
InChIKeySUMIQFMEIWLAAT-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.81
Rot. Bonds

About 5-fluoro-7,8-dimethyl-4-methylidene-7,8-dihydro-3H-quinazolin-2-amine

5-fluoro-7,8-dimethyl-4-methylidene-7,8-dihydro-3H-quinazolin-2-amine (PubChem CID 142610604) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is 5-fluoro-7,8-dimethyl-4-methylidene-7,8-dihydro-3H-quinazolin-2-amine.

Molecular Properties

Compound Name5-fluoro-7,8-dimethyl-4-methylidene-7,8-dihydro-3H-quinazolin-2-amine
PubChem CID142610604
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name5-fluoro-7,8-dimethyl-4-methylidene-7,8-dihydro-3H-quinazolin-2-amine
SMILESC=C1NC(N)=NC2=C1C(F)=CC(C)C2C
InChIInChI=1S/C11H14FN3/c1-5-4-8(12)9-7(3)14-11(13)15-10(9)6(5)2/h4-6H,3H2,1-2H3,(H3,13,14,15)
InChIKeySUMIQFMEIWLAAT-UHFFFAOYSA-N
XLogP1.81
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7,8-dimethyl-4-methylidene-7,8-dihydro-3H-quinazolin-2-amine?
The IUPAC name of 5-fluoro-7,8-dimethyl-4-methylidene-7,8-dihydro-3H-quinazolin-2-amine (CID 142610604) is 5-fluoro-7,8-dimethyl-4-methylidene-7,8-dihydro-3H-quinazolin-2-amine.
What is the SMILES notation for 5-fluoro-7,8-dimethyl-4-methylidene-7,8-dihydro-3H-quinazolin-2-amine?
The canonical SMILES for 5-fluoro-7,8-dimethyl-4-methylidene-7,8-dihydro-3H-quinazolin-2-amine is C=C1NC(N)=NC2=C1C(F)=CC(C)C2C.
What is the InChIKey of 5-fluoro-7,8-dimethyl-4-methylidene-7,8-dihydro-3H-quinazolin-2-amine?
The InChIKey is SUMIQFMEIWLAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3/c1-5-4-8(12)9-7(3)14-11(13)15-10(9)6(5)2/h4-6H,3H2,1-2H3,(H3,13,14,15).
What are the key properties of 5-fluoro-7,8-dimethyl-4-methylidene-7,8-dihydro-3H-quinazolin-2-amine?
5-fluoro-7,8-dimethyl-4-methylidene-7,8-dihydro-3H-quinazolin-2-amine has a molecular weight of 207.25 g/mol, XLogP of 1.81, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7,8-dimethyl-4-methylidene-7,8-dihydro-3H-quinazolin-2-amine is sourced from PubChem (CID 142610604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).