2-amino-4-methylsulfanyl-7,8-dihydro-6H-quinazolin-5-one

C9H11N3OS — CID 53215297

IUPAC2-amino-4-methylsulfanyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCSc1nc(N)nc2c1C(=O)CCC2
InChIInChI=1S/C9H11N3OS/c1-14-8-7-5(11-9(10)12-8)3-2-4-6(7)13/h2-4H2,1H3,(H2,10,11,12)
InChIKeyGIKFIPGILRWLNP-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.30
Rot. Bonds1

About 2-amino-4-methylsulfanyl-7,8-dihydro-6H-quinazolin-5-one

2-amino-4-methylsulfanyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 53215297) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-amino-4-methylsulfanyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-amino-4-methylsulfanyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID53215297
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name2-amino-4-methylsulfanyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCSc1nc(N)nc2c1C(=O)CCC2
InChIInChI=1S/C9H11N3OS/c1-14-8-7-5(11-9(10)12-8)3-2-4-6(7)13/h2-4H2,1H3,(H2,10,11,12)
InChIKeyGIKFIPGILRWLNP-UHFFFAOYSA-N
XLogP1.30
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfanyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-amino-4-methylsulfanyl-7,8-dihydro-6H-quinazolin-5-one (CID 53215297) is 2-amino-4-methylsulfanyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-amino-4-methylsulfanyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-amino-4-methylsulfanyl-7,8-dihydro-6H-quinazolin-5-one is CSc1nc(N)nc2c1C(=O)CCC2.
What is the InChIKey of 2-amino-4-methylsulfanyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is GIKFIPGILRWLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-14-8-7-5(11-9(10)12-8)3-2-4-6(7)13/h2-4H2,1H3,(H2,10,11,12).
What are the key properties of 2-amino-4-methylsulfanyl-7,8-dihydro-6H-quinazolin-5-one?
2-amino-4-methylsulfanyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 209.27 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfanyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 53215297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).