1-methyl-4-[3-(2-methylimidazol-1-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-6-amine

C15H20N8 — CID 136551372

IUPAC1-methyl-4-[3-(2-methylimidazol-1-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCc1nccn1C1CCCN(c2nc(N)nc3c2cnn3C)C1
InChIInChI=1S/C15H20N8/c1-10-17-5-7-23(10)11-4-3-6-22(9-11)14-12-8-18-21(2)13(12)19-15(16)20-14/h5,7-8,11H,3-4,6,9H2,1-2H3,(H2,16,19,20)
InChIKeyCRRFGPHRXVYTSH-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.29
Rot. Bonds2

About 1-methyl-4-[3-(2-methylimidazol-1-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-6-amine

1-methyl-4-[3-(2-methylimidazol-1-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 136551372) has the molecular formula C15H20N8 and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-methyl-4-[3-(2-methylimidazol-1-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-methyl-4-[3-(2-methylimidazol-1-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID136551372
Molecular FormulaC15H20N8
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC Name1-methyl-4-[3-(2-methylimidazol-1-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCc1nccn1C1CCCN(c2nc(N)nc3c2cnn3C)C1
InChIInChI=1S/C15H20N8/c1-10-17-5-7-23(10)11-4-3-6-22(9-11)14-12-8-18-21(2)13(12)19-15(16)20-14/h5,7-8,11H,3-4,6,9H2,1-2H3,(H2,16,19,20)
InChIKeyCRRFGPHRXVYTSH-UHFFFAOYSA-N
XLogP1.29
TPSA90.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(2-methylimidazol-1-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 1-methyl-4-[3-(2-methylimidazol-1-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-6-amine (CID 136551372) is 1-methyl-4-[3-(2-methylimidazol-1-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-methyl-4-[3-(2-methylimidazol-1-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-methyl-4-[3-(2-methylimidazol-1-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-6-amine is Cc1nccn1C1CCCN(c2nc(N)nc3c2cnn3C)C1.
What is the InChIKey of 1-methyl-4-[3-(2-methylimidazol-1-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is CRRFGPHRXVYTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8/c1-10-17-5-7-23(10)11-4-3-6-22(9-11)14-12-8-18-21(2)13(12)19-15(16)20-14/h5,7-8,11H,3-4,6,9H2,1-2H3,(H2,16,19,20).
What are the key properties of 1-methyl-4-[3-(2-methylimidazol-1-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-6-amine?
1-methyl-4-[3-(2-methylimidazol-1-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 312.38 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(2-methylimidazol-1-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 136551372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).