1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine

C12H17N5 — CID 96599519

IUPAC1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine
SMILESCc1nc(C2CCNCC2)c2cnn(C)c2n1
InChIInChI=1S/C12H17N5/c1-8-15-11(9-3-5-13-6-4-9)10-7-14-17(2)12(10)16-8/h7,9,13H,3-6H2,1-2H3
InChIKeyBAOWUYNRQAVPPT-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.14
Rot. Bonds1

About 1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine

1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine (PubChem CID 96599519) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine
PubChem CID96599519
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine
SMILESCc1nc(C2CCNCC2)c2cnn(C)c2n1
InChIInChI=1S/C12H17N5/c1-8-15-11(9-3-5-13-6-4-9)10-7-14-17(2)12(10)16-8/h7,9,13H,3-6H2,1-2H3
InChIKeyBAOWUYNRQAVPPT-UHFFFAOYSA-N
XLogP1.14
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-ethylpiperidin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 136525360
1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119886168
4-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidine
CID 166783555
4-[2-(2-methoxyethyl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 136569244
1,6-dimethyl-4-(2-phenylpyrrolidin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 56816112
1,6-dimethyl-4-[(2S)-2-phenylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 94521504
4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 154882886
N-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine;dihydrochloride
CID 154900352
3-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982781
1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyrazine
CID 66509746
(9aS)-2-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 56890769
1,6-dimethyl-4-(3-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 56816166

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine?
The IUPAC name of 1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine (CID 96599519) is 1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine is Cc1nc(C2CCNCC2)c2cnn(C)c2n1.
What is the InChIKey of 1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine?
The InChIKey is BAOWUYNRQAVPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-8-15-11(9-3-5-13-6-4-9)10-7-14-17(2)12(10)16-8/h7,9,13H,3-6H2,1-2H3.
What are the key properties of 1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine?
1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine has a molecular weight of 231.30 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 96599519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).