6-fluoro-N-propan-2-ylquinazolin-4-amine

C11H12FN3 — CID 71684168

IUPAC6-fluoro-N-propan-2-ylquinazolin-4-amine
SMILESCC(C)Nc1ncnc2ccc(F)cc12
InChIInChI=1S/C11H12FN3/c1-7(2)15-11-9-5-8(12)3-4-10(9)13-6-14-11/h3-7H,1-2H3,(H,13,14,15)
InChIKeyYUKLFGAFBAAIHF-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.59
Rot. Bonds2

About 6-fluoro-N-propan-2-ylquinazolin-4-amine

6-fluoro-N-propan-2-ylquinazolin-4-amine (PubChem CID 71684168) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 6-fluoro-N-propan-2-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-propan-2-ylquinazolin-4-amine
PubChem CID71684168
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name6-fluoro-N-propan-2-ylquinazolin-4-amine
SMILESCC(C)Nc1ncnc2ccc(F)cc12
InChIInChI=1S/C11H12FN3/c1-7(2)15-11-9-5-8(12)3-4-10(9)13-6-14-11/h3-7H,1-2H3,(H,13,14,15)
InChIKeyYUKLFGAFBAAIHF-UHFFFAOYSA-N
XLogP2.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-propan-2-ylquinazolin-4-amine?
The IUPAC name of 6-fluoro-N-propan-2-ylquinazolin-4-amine (CID 71684168) is 6-fluoro-N-propan-2-ylquinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-propan-2-ylquinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-propan-2-ylquinazolin-4-amine is CC(C)Nc1ncnc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-N-propan-2-ylquinazolin-4-amine?
The InChIKey is YUKLFGAFBAAIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-7(2)15-11-9-5-8(12)3-4-10(9)13-6-14-11/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of 6-fluoro-N-propan-2-ylquinazolin-4-amine?
6-fluoro-N-propan-2-ylquinazolin-4-amine has a molecular weight of 205.24 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-propan-2-ylquinazolin-4-amine is sourced from PubChem (CID 71684168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).