6,7-ditert-butylquinazolin-4-amine

C16H23N3 — CID 59066322

IUPAC6,7-ditert-butylquinazolin-4-amine
SMILESCC(C)(C)c1cc2ncnc(N)c2cc1C(C)(C)C
InChIInChI=1S/C16H23N3/c1-15(2,3)11-7-10-13(18-9-19-14(10)17)8-12(11)16(4,5)6/h7-9H,1-6H3,(H2,17,18,19)
InChIKeySIHXRGLONVIXHM-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.81
Rot. Bonds

About 6,7-ditert-butylquinazolin-4-amine

6,7-ditert-butylquinazolin-4-amine (PubChem CID 59066322) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 6,7-ditert-butylquinazolin-4-amine.

Molecular Properties

Compound Name6,7-ditert-butylquinazolin-4-amine
PubChem CID59066322
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name6,7-ditert-butylquinazolin-4-amine
SMILESCC(C)(C)c1cc2ncnc(N)c2cc1C(C)(C)C
InChIInChI=1S/C16H23N3/c1-15(2,3)11-7-10-13(18-9-19-14(10)17)8-12(11)16(4,5)6/h7-9H,1-6H3,(H2,17,18,19)
InChIKeySIHXRGLONVIXHM-UHFFFAOYSA-N
XLogP3.81
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-ditert-butylquinazolin-4-amine?
The IUPAC name of 6,7-ditert-butylquinazolin-4-amine (CID 59066322) is 6,7-ditert-butylquinazolin-4-amine.
What is the SMILES notation for 6,7-ditert-butylquinazolin-4-amine?
The canonical SMILES for 6,7-ditert-butylquinazolin-4-amine is CC(C)(C)c1cc2ncnc(N)c2cc1C(C)(C)C.
What is the InChIKey of 6,7-ditert-butylquinazolin-4-amine?
The InChIKey is SIHXRGLONVIXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-15(2,3)11-7-10-13(18-9-19-14(10)17)8-12(11)16(4,5)6/h7-9H,1-6H3,(H2,17,18,19).
What are the key properties of 6,7-ditert-butylquinazolin-4-amine?
6,7-ditert-butylquinazolin-4-amine has a molecular weight of 257.38 g/mol, XLogP of 3.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-ditert-butylquinazolin-4-amine is sourced from PubChem (CID 59066322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).