1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine

C8H11N5S — CID 14825379

IUPAC1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCn1ncc2c(N)nc(SC)nc21
InChIInChI=1S/C8H11N5S/c1-3-13-7-5(4-10-13)6(9)11-8(12-7)14-2/h4H,3H2,1-2H3,(H2,9,11,12)
InChIKeyFVJNUPWDRKLAJF-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.15
Rot. Bonds2

About 1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine

1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 14825379) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID14825379
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCn1ncc2c(N)nc(SC)nc21
InChIInChI=1S/C8H11N5S/c1-3-13-7-5(4-10-13)6(9)11-8(12-7)14-2/h4H,3H2,1-2H3,(H2,9,11,12)
InChIKeyFVJNUPWDRKLAJF-UHFFFAOYSA-N
XLogP1.15
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine (CID 14825379) is 1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine is CCn1ncc2c(N)nc(SC)nc21.
What is the InChIKey of 1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FVJNUPWDRKLAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-3-13-7-5(4-10-13)6(9)11-8(12-7)14-2/h4H,3H2,1-2H3,(H2,9,11,12).
What are the key properties of 1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine?
1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 209.28 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 14825379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).