2-(6-methyl-2-methylsulfanyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)ethanamine

C10H16N4S — CID 83871417

IUPAC2-(6-methyl-2-methylsulfanyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)ethanamine
SMILESCSc1nc(CCN)c2c(n1)CN(C)C2
InChIInChI=1S/C10H16N4S/c1-14-5-7-8(3-4-11)12-10(15-2)13-9(7)6-14/h3-6,11H2,1-2H3
InChIKeyIMCSTMYAJAWZSG-UHFFFAOYSA-N
MW224.33 g/mol
LogP0.65
Rot. Bonds3

About 2-(6-methyl-2-methylsulfanyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)ethanamine

2-(6-methyl-2-methylsulfanyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)ethanamine (PubChem CID 83871417) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-(6-methyl-2-methylsulfanyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(6-methyl-2-methylsulfanyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)ethanamine
PubChem CID83871417
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name2-(6-methyl-2-methylsulfanyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)ethanamine
SMILESCSc1nc(CCN)c2c(n1)CN(C)C2
InChIInChI=1S/C10H16N4S/c1-14-5-7-8(3-4-11)12-10(15-2)13-9(7)6-14/h3-6,11H2,1-2H3
InChIKeyIMCSTMYAJAWZSG-UHFFFAOYSA-N
XLogP0.65
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-methylsulfanyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)ethanamine?
The IUPAC name of 2-(6-methyl-2-methylsulfanyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)ethanamine (CID 83871417) is 2-(6-methyl-2-methylsulfanyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)ethanamine.
What is the SMILES notation for 2-(6-methyl-2-methylsulfanyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)ethanamine?
The canonical SMILES for 2-(6-methyl-2-methylsulfanyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)ethanamine is CSc1nc(CCN)c2c(n1)CN(C)C2.
What is the InChIKey of 2-(6-methyl-2-methylsulfanyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)ethanamine?
The InChIKey is IMCSTMYAJAWZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-14-5-7-8(3-4-11)12-10(15-2)13-9(7)6-14/h3-6,11H2,1-2H3.
What are the key properties of 2-(6-methyl-2-methylsulfanyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)ethanamine?
2-(6-methyl-2-methylsulfanyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)ethanamine has a molecular weight of 224.33 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-methylsulfanyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)ethanamine is sourced from PubChem (CID 83871417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).