N-methyl-1-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine

C15H24N6 — CID 70681768

IUPACN-methyl-1-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine
SMILESCNc1ncc2c(C(C)C)nn(CC3CCNCC3)c2n1
InChIInChI=1S/C15H24N6/c1-10(2)13-12-8-18-15(16-3)19-14(12)21(20-13)9-11-4-6-17-7-5-11/h8,10-11,17H,4-7,9H2,1-3H3,(H,16,18,19)
InChIKeyHRHQKUTWEQVUDD-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.99
Rot. Bonds4

About N-methyl-1-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine

N-methyl-1-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 70681768) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-methyl-1-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-methyl-1-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID70681768
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC NameN-methyl-1-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine
SMILESCNc1ncc2c(C(C)C)nn(CC3CCNCC3)c2n1
InChIInChI=1S/C15H24N6/c1-10(2)13-12-8-18-15(16-3)19-14(12)21(20-13)9-11-4-6-17-7-5-11/h8,10-11,17H,4-7,9H2,1-3H3,(H,16,18,19)
InChIKeyHRHQKUTWEQVUDD-UHFFFAOYSA-N
XLogP1.99
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of N-methyl-1-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine (CID 70681768) is N-methyl-1-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-methyl-1-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for N-methyl-1-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine is CNc1ncc2c(C(C)C)nn(CC3CCNCC3)c2n1.
What is the InChIKey of N-methyl-1-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is HRHQKUTWEQVUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-10(2)13-12-8-18-15(16-3)19-14(12)21(20-13)9-11-4-6-17-7-5-11/h8,10-11,17H,4-7,9H2,1-3H3,(H,16,18,19).
What are the key properties of N-methyl-1-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine?
N-methyl-1-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 288.40 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 70681768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).