N,1-dimethyl-N-(piperidin-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine;dihydrochloride

C13H22Cl2N6 — CID 154582399

IUPACN,1-dimethyl-N-(piperidin-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine;dihydrochloride
SMILESCN(CC1CCNCC1)c1ncnc2c1cnn2C.Cl.Cl
InChIInChI=1S/C13H20N6.2ClH/c1-18(8-10-3-5-14-6-4-10)12-11-7-17-19(2)13(11)16-9-15-12;;/h7,9-10,14H,3-6,8H2,1-2H3;2*1H
InChIKeyZWLHCJOULAJEQS-UHFFFAOYSA-N
MW333.27 g/mol
LogP1.64
Rot. Bonds3

About N,1-dimethyl-N-(piperidin-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine;dihydrochloride

N,1-dimethyl-N-(piperidin-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine;dihydrochloride (PubChem CID 154582399) has the molecular formula C13H22Cl2N6 and a molecular weight of 333.27 g/mol. Its IUPAC name is N,1-dimethyl-N-(piperidin-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound NameN,1-dimethyl-N-(piperidin-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine;dihydrochloride
PubChem CID154582399
Molecular FormulaC13H22Cl2N6
Molecular Weight333.27 g/mol
Exact Mass332.13
IUPAC NameN,1-dimethyl-N-(piperidin-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine;dihydrochloride
SMILESCN(CC1CCNCC1)c1ncnc2c1cnn2C.Cl.Cl
InChIInChI=1S/C13H20N6.2ClH/c1-18(8-10-3-5-14-6-4-10)12-11-7-17-19(2)13(11)16-9-15-12;;/h7,9-10,14H,3-6,8H2,1-2H3;2*1H
InChIKeyZWLHCJOULAJEQS-UHFFFAOYSA-N
XLogP1.64
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(piperidin-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine;dihydrochloride?
The IUPAC name of N,1-dimethyl-N-(piperidin-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine;dihydrochloride (CID 154582399) is N,1-dimethyl-N-(piperidin-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for N,1-dimethyl-N-(piperidin-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine;dihydrochloride?
The canonical SMILES for N,1-dimethyl-N-(piperidin-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine;dihydrochloride is CN(CC1CCNCC1)c1ncnc2c1cnn2C.Cl.Cl.
What is the InChIKey of N,1-dimethyl-N-(piperidin-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine;dihydrochloride?
The InChIKey is ZWLHCJOULAJEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6.2ClH/c1-18(8-10-3-5-14-6-4-10)12-11-7-17-19(2)13(11)16-9-15-12;;/h7,9-10,14H,3-6,8H2,1-2H3;2*1H.
What are the key properties of N,1-dimethyl-N-(piperidin-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine;dihydrochloride?
N,1-dimethyl-N-(piperidin-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine;dihydrochloride has a molecular weight of 333.27 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(piperidin-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 154582399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).