1,3-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

C19H20N8 — CID 70726083

IUPAC1,3-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2nc(-c3ccncc3)nc(NC(C)Cc3cnccn3)c12
InChIInChI=1S/C19H20N8/c1-12(10-15-11-21-8-9-22-15)23-18-16-13(2)26-27(3)19(16)25-17(24-18)14-4-6-20-7-5-14/h4-9,11-12H,10H2,1-3H3,(H,23,24,25)
InChIKeyRBLRXURURNLIBF-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.57
Rot. Bonds5

About 1,3-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

1,3-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70726083) has the molecular formula C19H20N8 and a molecular weight of 360.43 g/mol. Its IUPAC name is 1,3-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70726083
Molecular FormulaC19H20N8
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name1,3-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2nc(-c3ccncc3)nc(NC(C)Cc3cnccn3)c12
InChIInChI=1S/C19H20N8/c1-12(10-15-11-21-8-9-22-15)23-18-16-13(2)26-27(3)19(16)25-17(24-18)14-4-6-20-7-5-14/h4-9,11-12H,10H2,1-3H3,(H,23,24,25)
InChIKeyRBLRXURURNLIBF-UHFFFAOYSA-N
XLogP2.57
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 70726083) is 1,3-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1nn(C)c2nc(-c3ccncc3)nc(NC(C)Cc3cnccn3)c12.
What is the InChIKey of 1,3-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is RBLRXURURNLIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8/c1-12(10-15-11-21-8-9-22-15)23-18-16-13(2)26-27(3)19(16)25-17(24-18)14-4-6-20-7-5-14/h4-9,11-12H,10H2,1-3H3,(H,23,24,25).
What are the key properties of 1,3-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1,3-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 360.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70726083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).