6-fluoro-2-methylquinazolin-4-amine

C9H8FN3 — CID 105436760

IUPAC6-fluoro-2-methylquinazolin-4-amine
SMILESCc1nc(N)c2cc(F)ccc2n1
InChIInChI=1S/C9H8FN3/c1-5-12-8-3-2-6(10)4-7(8)9(11)13-5/h2-4H,1H3,(H2,11,12,13)
InChIKeyKNDWUNDLJMQRNU-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.66
Rot. Bonds

About 6-fluoro-2-methylquinazolin-4-amine

6-fluoro-2-methylquinazolin-4-amine (PubChem CID 105436760) has the molecular formula C9H8FN3 and a molecular weight of 177.18 g/mol. Its IUPAC name is 6-fluoro-2-methylquinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-2-methylquinazolin-4-amine
PubChem CID105436760
Molecular FormulaC9H8FN3
Molecular Weight177.18 g/mol
Exact Mass177.07
IUPAC Name6-fluoro-2-methylquinazolin-4-amine
SMILESCc1nc(N)c2cc(F)ccc2n1
InChIInChI=1S/C9H8FN3/c1-5-12-8-3-2-6(10)4-7(8)9(11)13-5/h2-4H,1H3,(H2,11,12,13)
InChIKeyKNDWUNDLJMQRNU-UHFFFAOYSA-N
XLogP1.66
TPSA51.80 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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methylquinazolin-4-amine?
The IUPAC name of 6-fluoro-2-methylquinazolin-4-amine (CID 105436760) is 6-fluoro-2-methylquinazolin-4-amine.
What is the SMILES notation for 6-fluoro-2-methylquinazolin-4-amine?
The canonical SMILES for 6-fluoro-2-methylquinazolin-4-amine is Cc1nc(N)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-methylquinazolin-4-amine?
The InChIKey is KNDWUNDLJMQRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3/c1-5-12-8-3-2-6(10)4-7(8)9(11)13-5/h2-4H,1H3,(H2,11,12,13).
What are the key properties of 6-fluoro-2-methylquinazolin-4-amine?
6-fluoro-2-methylquinazolin-4-amine has a molecular weight of 177.18 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methylquinazolin-4-amine is sourced from PubChem (CID 105436760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).