7-fluoro-4,6-dimethylquinazoline

C10H9FN2 — CID 67990851

IUPAC7-fluoro-4,6-dimethylquinazoline
SMILESCc1cc2c(C)ncnc2cc1F
InChIInChI=1S/C10H9FN2/c1-6-3-8-7(2)12-5-13-10(8)4-9(6)11/h3-5H,1-2H3
InChIKeyGHEIELFKUPEKTP-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.39
Rot. Bonds

About 7-fluoro-4,6-dimethylquinazoline

7-fluoro-4,6-dimethylquinazoline (PubChem CID 67990851) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 7-fluoro-4,6-dimethylquinazoline.

Molecular Properties

Compound Name7-fluoro-4,6-dimethylquinazoline
PubChem CID67990851
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name7-fluoro-4,6-dimethylquinazoline
SMILESCc1cc2c(C)ncnc2cc1F
InChIInChI=1S/C10H9FN2/c1-6-3-8-7(2)12-5-13-10(8)4-9(6)11/h3-5H,1-2H3
InChIKeyGHEIELFKUPEKTP-UHFFFAOYSA-N
XLogP2.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4,6-dimethylquinazoline?
The IUPAC name of 7-fluoro-4,6-dimethylquinazoline (CID 67990851) is 7-fluoro-4,6-dimethylquinazoline.
What is the SMILES notation for 7-fluoro-4,6-dimethylquinazoline?
The canonical SMILES for 7-fluoro-4,6-dimethylquinazoline is Cc1cc2c(C)ncnc2cc1F.
What is the InChIKey of 7-fluoro-4,6-dimethylquinazoline?
The InChIKey is GHEIELFKUPEKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c1-6-3-8-7(2)12-5-13-10(8)4-9(6)11/h3-5H,1-2H3.
What are the key properties of 7-fluoro-4,6-dimethylquinazoline?
7-fluoro-4,6-dimethylquinazoline has a molecular weight of 176.19 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4,6-dimethylquinazoline is sourced from PubChem (CID 67990851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).