7-tert-butylsulfanyl-2-methylquinazolin-4-amine

C13H17N3S — CID 89460268

IUPAC7-tert-butylsulfanyl-2-methylquinazolin-4-amine
SMILESCc1nc(N)c2ccc(SC(C)(C)C)cc2n1
InChIInChI=1S/C13H17N3S/c1-8-15-11-7-9(17-13(2,3)4)5-6-10(11)12(14)16-8/h5-7H,1-4H3,(H2,14,15,16)
InChIKeyXSSRVKDVVBFJHI-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.41
Rot. Bonds1

About 7-tert-butylsulfanyl-2-methylquinazolin-4-amine

7-tert-butylsulfanyl-2-methylquinazolin-4-amine (PubChem CID 89460268) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 7-tert-butylsulfanyl-2-methylquinazolin-4-amine.

Molecular Properties

Compound Name7-tert-butylsulfanyl-2-methylquinazolin-4-amine
PubChem CID89460268
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name7-tert-butylsulfanyl-2-methylquinazolin-4-amine
SMILESCc1nc(N)c2ccc(SC(C)(C)C)cc2n1
InChIInChI=1S/C13H17N3S/c1-8-15-11-7-9(17-13(2,3)4)5-6-10(11)12(14)16-8/h5-7H,1-4H3,(H2,14,15,16)
InChIKeyXSSRVKDVVBFJHI-UHFFFAOYSA-N
XLogP3.41
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butylsulfanyl-2-methylquinazolin-4-amine?
The IUPAC name of 7-tert-butylsulfanyl-2-methylquinazolin-4-amine (CID 89460268) is 7-tert-butylsulfanyl-2-methylquinazolin-4-amine.
What is the SMILES notation for 7-tert-butylsulfanyl-2-methylquinazolin-4-amine?
The canonical SMILES for 7-tert-butylsulfanyl-2-methylquinazolin-4-amine is Cc1nc(N)c2ccc(SC(C)(C)C)cc2n1.
What is the InChIKey of 7-tert-butylsulfanyl-2-methylquinazolin-4-amine?
The InChIKey is XSSRVKDVVBFJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-8-15-11-7-9(17-13(2,3)4)5-6-10(11)12(14)16-8/h5-7H,1-4H3,(H2,14,15,16).
What are the key properties of 7-tert-butylsulfanyl-2-methylquinazolin-4-amine?
7-tert-butylsulfanyl-2-methylquinazolin-4-amine has a molecular weight of 247.37 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butylsulfanyl-2-methylquinazolin-4-amine is sourced from PubChem (CID 89460268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).