6-methyl-4-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-amine

C10H15N3S — CID 83916731

IUPAC6-methyl-4-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCSc1nc(N)nc2c1CC(C)CC2
InChIInChI=1S/C10H15N3S/c1-6-3-4-8-7(5-6)9(14-2)13-10(11)12-8/h6H,3-5H2,1-2H3,(H2,11,12,13)
InChIKeyHVYBEMAXLSQLNQ-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.91
Rot. Bonds1

About 6-methyl-4-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-amine

6-methyl-4-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 83916731) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 6-methyl-4-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name6-methyl-4-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID83916731
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name6-methyl-4-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCSc1nc(N)nc2c1CC(C)CC2
InChIInChI=1S/C10H15N3S/c1-6-3-4-8-7(5-6)9(14-2)13-10(11)12-8/h6H,3-5H2,1-2H3,(H2,11,12,13)
InChIKeyHVYBEMAXLSQLNQ-UHFFFAOYSA-N
XLogP1.91
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 6-methyl-4-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-amine (CID 83916731) is 6-methyl-4-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 6-methyl-4-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 6-methyl-4-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-amine is CSc1nc(N)nc2c1CC(C)CC2.
What is the InChIKey of 6-methyl-4-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is HVYBEMAXLSQLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-6-3-4-8-7(5-6)9(14-2)13-10(11)12-8/h6H,3-5H2,1-2H3,(H2,11,12,13).
What are the key properties of 6-methyl-4-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-amine?
6-methyl-4-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 209.32 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 83916731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).