1-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C10H15N5S — CID 115637656

IUPAC1-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCSCC(C)Nc1ncnc2c1cnn2C
InChIInChI=1S/C10H15N5S/c1-7(5-16-3)14-9-8-4-13-15(2)10(8)12-6-11-9/h4,6-7H,5H2,1-3H3,(H,11,12,14)
InChIKeyRBBOGAWFRGSTCV-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.53
Rot. Bonds4

About 1-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 115637656) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID115637656
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name1-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCSCC(C)Nc1ncnc2c1cnn2C
InChIInChI=1S/C10H15N5S/c1-7(5-16-3)14-9-8-4-13-15(2)10(8)12-6-11-9/h4,6-7H,5H2,1-3H3,(H,11,12,14)
InChIKeyRBBOGAWFRGSTCV-UHFFFAOYSA-N
XLogP1.53
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 115637656) is 1-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is CSCC(C)Nc1ncnc2c1cnn2C.
What is the InChIKey of 1-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is RBBOGAWFRGSTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-7(5-16-3)14-9-8-4-13-15(2)10(8)12-6-11-9/h4,6-7H,5H2,1-3H3,(H,11,12,14).
What are the key properties of 1-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 237.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 115637656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).