6-fluoro-4-methyl-5,6-dihydroquinazoline

C9H9FN2 — CID 134313088

IUPAC6-fluoro-4-methyl-5,6-dihydroquinazoline
SMILESCc1ncnc2c1CC(F)C=C2
InChIInChI=1S/C9H9FN2/c1-6-8-4-7(10)2-3-9(8)12-5-11-6/h2-3,5,7H,4H2,1H3
InChIKeyZKALOWIASWNYCU-UHFFFAOYSA-N
MW164.18 g/mol
LogP1.69
Rot. Bonds

About 6-fluoro-4-methyl-5,6-dihydroquinazoline

6-fluoro-4-methyl-5,6-dihydroquinazoline (PubChem CID 134313088) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is 6-fluoro-4-methyl-5,6-dihydroquinazoline.

Molecular Properties

Compound Name6-fluoro-4-methyl-5,6-dihydroquinazoline
PubChem CID134313088
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name6-fluoro-4-methyl-5,6-dihydroquinazoline
SMILESCc1ncnc2c1CC(F)C=C2
InChIInChI=1S/C9H9FN2/c1-6-8-4-7(10)2-3-9(8)12-5-11-6/h2-3,5,7H,4H2,1H3
InChIKeyZKALOWIASWNYCU-UHFFFAOYSA-N
XLogP1.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methyl-5,6-dihydroquinazoline?
The IUPAC name of 6-fluoro-4-methyl-5,6-dihydroquinazoline (CID 134313088) is 6-fluoro-4-methyl-5,6-dihydroquinazoline.
What is the SMILES notation for 6-fluoro-4-methyl-5,6-dihydroquinazoline?
The canonical SMILES for 6-fluoro-4-methyl-5,6-dihydroquinazoline is Cc1ncnc2c1CC(F)C=C2.
What is the InChIKey of 6-fluoro-4-methyl-5,6-dihydroquinazoline?
The InChIKey is ZKALOWIASWNYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2/c1-6-8-4-7(10)2-3-9(8)12-5-11-6/h2-3,5,7H,4H2,1H3.
What are the key properties of 6-fluoro-4-methyl-5,6-dihydroquinazoline?
6-fluoro-4-methyl-5,6-dihydroquinazoline has a molecular weight of 164.18 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methyl-5,6-dihydroquinazoline is sourced from PubChem (CID 134313088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).