6-tert-butylquinazolin-4-amine

C12H15N3 — CID 58008725

IUPAC6-tert-butylquinazolin-4-amine
SMILESCC(C)(C)c1ccc2ncnc(N)c2c1
InChIInChI=1S/C12H15N3/c1-12(2,3)8-4-5-10-9(6-8)11(13)15-7-14-10/h4-7H,1-3H3,(H2,13,14,15)
InChIKeyQTDYUZWSYSNUSX-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.51
Rot. Bonds

About 6-tert-butylquinazolin-4-amine

6-tert-butylquinazolin-4-amine (PubChem CID 58008725) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 6-tert-butylquinazolin-4-amine.

Molecular Properties

Compound Name6-tert-butylquinazolin-4-amine
PubChem CID58008725
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name6-tert-butylquinazolin-4-amine
SMILESCC(C)(C)c1ccc2ncnc(N)c2c1
InChIInChI=1S/C12H15N3/c1-12(2,3)8-4-5-10-9(6-8)11(13)15-7-14-10/h4-7H,1-3H3,(H2,13,14,15)
InChIKeyQTDYUZWSYSNUSX-UHFFFAOYSA-N
XLogP2.51
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylquinazolin-4-amine?
The IUPAC name of 6-tert-butylquinazolin-4-amine (CID 58008725) is 6-tert-butylquinazolin-4-amine.
What is the SMILES notation for 6-tert-butylquinazolin-4-amine?
The canonical SMILES for 6-tert-butylquinazolin-4-amine is CC(C)(C)c1ccc2ncnc(N)c2c1.
What is the InChIKey of 6-tert-butylquinazolin-4-amine?
The InChIKey is QTDYUZWSYSNUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-12(2,3)8-4-5-10-9(6-8)11(13)15-7-14-10/h4-7H,1-3H3,(H2,13,14,15).
What are the key properties of 6-tert-butylquinazolin-4-amine?
6-tert-butylquinazolin-4-amine has a molecular weight of 201.27 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylquinazolin-4-amine is sourced from PubChem (CID 58008725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).