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

C19H20N8 — CID 95891564

IUPAC1,3-dimethyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2nc(-c3ccccn3)nc(N[C@H](C)Cc3cnccn3)c12
InChIInChI=1S/C19H20N8/c1-12(10-14-11-20-8-9-21-14)23-18-16-13(2)26-27(3)19(16)25-17(24-18)15-6-4-5-7-22-15/h4-9,11-12H,10H2,1-3H3,(H,23,24,25)/t12-/m1/s1
InChIKeyDXWGIXNMTNCYDA-GFCCVEGCSA-N
MW360.43 g/mol
LogP2.57
Rot. Bonds5

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

1,3-dimethyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 95891564) has the molecular formula C19H20N8 and a molecular weight of 360.43 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID95891564
Molecular FormulaC19H20N8
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name1,3-dimethyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2nc(-c3ccccn3)nc(N[C@H](C)Cc3cnccn3)c12
InChIInChI=1S/C19H20N8/c1-12(10-14-11-20-8-9-21-14)23-18-16-13(2)26-27(3)19(16)25-17(24-18)15-6-4-5-7-22-15/h4-9,11-12H,10H2,1-3H3,(H,23,24,25)/t12-/m1/s1
InChIKeyDXWGIXNMTNCYDA-GFCCVEGCSA-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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Related Compounds

1,3-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70726083
N-(1-pyrazin-2-ylpropan-2-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56901267
1,3-dimethyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95861426
1,3-dimethyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97270342
2-methyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 72864577
1,3-dimethyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95891437
1-[(2S)-2-[[(1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone
CID 95867860
1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine
CID 95867116
5,6-dimethyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-2-ylpyrimidin-4-amine
CID 133295176
1,3-dimethyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95861358
4,6-dimethyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyrimidin-2-amine
CID 95129567
4-(3-methyl-1-propylpyrazol-4-yl)-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidin-2-amine
CID 45175617

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 95891564) is 1,3-dimethyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1nn(C)c2nc(-c3ccccn3)nc(N[C@H](C)Cc3cnccn3)c12.
What is the InChIKey of 1,3-dimethyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DXWGIXNMTNCYDA-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20N8/c1-12(10-14-11-20-8-9-21-14)23-18-16-13(2)26-27(3)19(16)25-17(24-18)15-6-4-5-7-22-15/h4-9,11-12H,10H2,1-3H3,(H,23,24,25)/t12-/m1/s1.
What are the key properties of 1,3-dimethyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1,3-dimethyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-6-pyridin-2-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-[(2R)-1-pyrazin-2-ylpropan-2-yl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95891564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).