N,1-dimethyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine

C12H15N7S — CID 63221980

IUPACN,1-dimethyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(CSc2cnn(C)c2)nc2c1cnn2C
InChIInChI=1S/C12H15N7S/c1-13-11-9-5-15-19(3)12(9)17-10(16-11)7-20-8-4-14-18(2)6-8/h4-6H,7H2,1-3H3,(H,13,16,17)
InChIKeySZCDSJYORTWJGF-UHFFFAOYSA-N
MW289.37 g/mol
LogP1.43
Rot. Bonds4

About N,1-dimethyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine

N,1-dimethyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63221980) has the molecular formula C12H15N7S and a molecular weight of 289.37 g/mol. Its IUPAC name is N,1-dimethyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63221980
Molecular FormulaC12H15N7S
Molecular Weight289.37 g/mol
Exact Mass289.11
IUPAC NameN,1-dimethyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(CSc2cnn(C)c2)nc2c1cnn2C
InChIInChI=1S/C12H15N7S/c1-13-11-9-5-15-19(3)12(9)17-10(16-11)7-20-8-4-14-18(2)6-8/h4-6H,7H2,1-3H3,(H,13,16,17)
InChIKeySZCDSJYORTWJGF-UHFFFAOYSA-N
XLogP1.43
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N,1-dimethyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 63221980) is N,1-dimethyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1-dimethyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1-dimethyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine is CNc1nc(CSc2cnn(C)c2)nc2c1cnn2C.
What is the InChIKey of N,1-dimethyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is SZCDSJYORTWJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7S/c1-13-11-9-5-15-19(3)12(9)17-10(16-11)7-20-8-4-14-18(2)6-8/h4-6H,7H2,1-3H3,(H,13,16,17).
What are the key properties of N,1-dimethyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
N,1-dimethyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 289.37 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63221980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).