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

C10H15N3S — CID 83884697

IUPACN-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-8-amine
SMILESCNC1CCCc2cnc(SC)nc21
InChIInChI=1S/C10H15N3S/c1-11-8-5-3-4-7-6-12-10(14-2)13-9(7)8/h6,8,11H,3-5H2,1-2H3
InChIKeyFYIOEYPDENJWEI-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.80
Rot. Bonds2

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

N-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-8-amine (PubChem CID 83884697) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-8-amine.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-8-amine
PubChem CID83884697
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC NameN-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-8-amine
SMILESCNC1CCCc2cnc(SC)nc21
InChIInChI=1S/C10H15N3S/c1-11-8-5-3-4-7-6-12-10(14-2)13-9(7)8/h6,8,11H,3-5H2,1-2H3
InChIKeyFYIOEYPDENJWEI-UHFFFAOYSA-N
XLogP1.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-8-amine?
The IUPAC name of N-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-8-amine (CID 83884697) is N-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-8-amine.
What is the SMILES notation for N-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-8-amine?
The canonical SMILES for N-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-8-amine is CNC1CCCc2cnc(SC)nc21.
What is the InChIKey of N-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-8-amine?
The InChIKey is FYIOEYPDENJWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-11-8-5-3-4-7-6-12-10(14-2)13-9(7)8/h6,8,11H,3-5H2,1-2H3.
What are the key properties of N-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-8-amine?
N-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-8-amine has a molecular weight of 209.32 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-8-amine is sourced from PubChem (CID 83884697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).