1,6-dimethyl-N-[1-(piperidin-1-ylmethyl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine

C19H30N6 — CID 56894090

IUPAC1,6-dimethyl-N-[1-(piperidin-1-ylmethyl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NC2(CN3CCCCC3)CCCCC2)c2cnn(C)c2n1
InChIInChI=1S/C19H30N6/c1-15-21-17(16-13-20-24(2)18(16)22-15)23-19(9-5-3-6-10-19)14-25-11-7-4-8-12-25/h13H,3-12,14H2,1-2H3,(H,21,22,23)
InChIKeyIFIIFWSTYJSJEE-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.27
Rot. Bonds4

About 1,6-dimethyl-N-[1-(piperidin-1-ylmethyl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine

1,6-dimethyl-N-[1-(piperidin-1-ylmethyl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56894090) has the molecular formula C19H30N6 and a molecular weight of 342.49 g/mol. Its IUPAC name is 1,6-dimethyl-N-[1-(piperidin-1-ylmethyl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,6-dimethyl-N-[1-(piperidin-1-ylmethyl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56894090
Molecular FormulaC19H30N6
Molecular Weight342.49 g/mol
Exact Mass342.25
IUPAC Name1,6-dimethyl-N-[1-(piperidin-1-ylmethyl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NC2(CN3CCCCC3)CCCCC2)c2cnn(C)c2n1
InChIInChI=1S/C19H30N6/c1-15-21-17(16-13-20-24(2)18(16)22-15)23-19(9-5-3-6-10-19)14-25-11-7-4-8-12-25/h13H,3-12,14H2,1-2H3,(H,21,22,23)
InChIKeyIFIIFWSTYJSJEE-UHFFFAOYSA-N
XLogP3.27
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-N-[1-(piperidin-1-ylmethyl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1,6-dimethyl-N-[1-(piperidin-1-ylmethyl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 56894090) is 1,6-dimethyl-N-[1-(piperidin-1-ylmethyl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,6-dimethyl-N-[1-(piperidin-1-ylmethyl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,6-dimethyl-N-[1-(piperidin-1-ylmethyl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1nc(NC2(CN3CCCCC3)CCCCC2)c2cnn(C)c2n1.
What is the InChIKey of 1,6-dimethyl-N-[1-(piperidin-1-ylmethyl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is IFIIFWSTYJSJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6/c1-15-21-17(16-13-20-24(2)18(16)22-15)23-19(9-5-3-6-10-19)14-25-11-7-4-8-12-25/h13H,3-12,14H2,1-2H3,(H,21,22,23).
What are the key properties of 1,6-dimethyl-N-[1-(piperidin-1-ylmethyl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1,6-dimethyl-N-[1-(piperidin-1-ylmethyl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 342.49 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-N-[1-(piperidin-1-ylmethyl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56894090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).