N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C13H20N6 — CID 60710802

IUPACN-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCN1CCC(Nc2ncnc3c2cnn3C)CC1
InChIInChI=1S/C13H20N6/c1-3-19-6-4-10(5-7-19)17-12-11-8-16-18(2)13(11)15-9-14-12/h8-10H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyCGHBTSPSECEDCF-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.26
Rot. Bonds3

About N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 60710802) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID60710802
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC NameN-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCN1CCC(Nc2ncnc3c2cnn3C)CC1
InChIInChI=1S/C13H20N6/c1-3-19-6-4-10(5-7-19)17-12-11-8-16-18(2)13(11)15-9-14-12/h8-10H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyCGHBTSPSECEDCF-UHFFFAOYSA-N
XLogP1.26
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 60710802) is N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCN1CCC(Nc2ncnc3c2cnn3C)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CGHBTSPSECEDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-3-19-6-4-10(5-7-19)17-12-11-8-16-18(2)13(11)15-9-14-12/h8-10H,3-7H2,1-2H3,(H,14,15,17).
What are the key properties of N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 260.34 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 60710802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).