4-tert-butylsulfanylquinazolin-7-amine

C12H15N3S — CID 65336188

IUPAC4-tert-butylsulfanylquinazolin-7-amine
SMILESCC(C)(C)Sc1ncnc2cc(N)ccc12
InChIInChI=1S/C12H15N3S/c1-12(2,3)16-11-9-5-4-8(13)6-10(9)14-7-15-11/h4-7H,13H2,1-3H3
InChIKeyNJJSEBGKLTWQKC-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.10
Rot. Bonds1

About 4-tert-butylsulfanylquinazolin-7-amine

4-tert-butylsulfanylquinazolin-7-amine (PubChem CID 65336188) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-tert-butylsulfanylquinazolin-7-amine.

Molecular Properties

Compound Name4-tert-butylsulfanylquinazolin-7-amine
PubChem CID65336188
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name4-tert-butylsulfanylquinazolin-7-amine
SMILESCC(C)(C)Sc1ncnc2cc(N)ccc12
InChIInChI=1S/C12H15N3S/c1-12(2,3)16-11-9-5-4-8(13)6-10(9)14-7-15-11/h4-7H,13H2,1-3H3
InChIKeyNJJSEBGKLTWQKC-UHFFFAOYSA-N
XLogP3.10
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanylquinazolin-7-amine?
The IUPAC name of 4-tert-butylsulfanylquinazolin-7-amine (CID 65336188) is 4-tert-butylsulfanylquinazolin-7-amine.
What is the SMILES notation for 4-tert-butylsulfanylquinazolin-7-amine?
The canonical SMILES for 4-tert-butylsulfanylquinazolin-7-amine is CC(C)(C)Sc1ncnc2cc(N)ccc12.
What is the InChIKey of 4-tert-butylsulfanylquinazolin-7-amine?
The InChIKey is NJJSEBGKLTWQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-12(2,3)16-11-9-5-4-8(13)6-10(9)14-7-15-11/h4-7H,13H2,1-3H3.
What are the key properties of 4-tert-butylsulfanylquinazolin-7-amine?
4-tert-butylsulfanylquinazolin-7-amine has a molecular weight of 233.34 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfanylquinazolin-7-amine is sourced from PubChem (CID 65336188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).