7-tert-butylsulfanyl-4-methylquinazoline

C13H16N2S — CID 89460282

IUPAC7-tert-butylsulfanyl-4-methylquinazoline
SMILESCc1ncnc2cc(SC(C)(C)C)ccc12
InChIInChI=1S/C13H16N2S/c1-9-11-6-5-10(16-13(2,3)4)7-12(11)15-8-14-9/h5-8H,1-4H3
InChIKeyRMNXDSSTUMJQII-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.83
Rot. Bonds1

About 7-tert-butylsulfanyl-4-methylquinazoline

7-tert-butylsulfanyl-4-methylquinazoline (PubChem CID 89460282) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 7-tert-butylsulfanyl-4-methylquinazoline.

Molecular Properties

Compound Name7-tert-butylsulfanyl-4-methylquinazoline
PubChem CID89460282
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name7-tert-butylsulfanyl-4-methylquinazoline
SMILESCc1ncnc2cc(SC(C)(C)C)ccc12
InChIInChI=1S/C13H16N2S/c1-9-11-6-5-10(16-13(2,3)4)7-12(11)15-8-14-9/h5-8H,1-4H3
InChIKeyRMNXDSSTUMJQII-UHFFFAOYSA-N
XLogP3.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butylsulfanyl-4-methylquinazoline?
The IUPAC name of 7-tert-butylsulfanyl-4-methylquinazoline (CID 89460282) is 7-tert-butylsulfanyl-4-methylquinazoline.
What is the SMILES notation for 7-tert-butylsulfanyl-4-methylquinazoline?
The canonical SMILES for 7-tert-butylsulfanyl-4-methylquinazoline is Cc1ncnc2cc(SC(C)(C)C)ccc12.
What is the InChIKey of 7-tert-butylsulfanyl-4-methylquinazoline?
The InChIKey is RMNXDSSTUMJQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9-11-6-5-10(16-13(2,3)4)7-12(11)15-8-14-9/h5-8H,1-4H3.
What are the key properties of 7-tert-butylsulfanyl-4-methylquinazoline?
7-tert-butylsulfanyl-4-methylquinazoline has a molecular weight of 232.35 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butylsulfanyl-4-methylquinazoline is sourced from PubChem (CID 89460282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).