[4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]methanamine

C12H19N7 — CID 80506211

IUPAC[4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]methanamine
SMILESCN1CCN(c2ncnc3c2cnn3C)C(CN)C1
InChIInChI=1S/C12H19N7/c1-17-3-4-19(9(5-13)7-17)12-10-6-16-18(2)11(10)14-8-15-12/h6,8-9H,3-5,7,13H2,1-2H3
InChIKeyQFQJKLULTXBKDM-UHFFFAOYSA-N
MW261.33 g/mol
LogP-0.56
Rot. Bonds2

About [4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]methanamine

[4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]methanamine (PubChem CID 80506211) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is [4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]methanamine
PubChem CID80506211
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name[4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]methanamine
SMILESCN1CCN(c2ncnc3c2cnn3C)C(CN)C1
InChIInChI=1S/C12H19N7/c1-17-3-4-19(9(5-13)7-17)12-10-6-16-18(2)11(10)14-8-15-12/h6,8-9H,3-5,7,13H2,1-2H3
InChIKeyQFQJKLULTXBKDM-UHFFFAOYSA-N
XLogP-0.56
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]methanamine (CID 80506211) is [4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]methanamine is CN1CCN(c2ncnc3c2cnn3C)C(CN)C1.
What is the InChIKey of [4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]methanamine?
The InChIKey is QFQJKLULTXBKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-17-3-4-19(9(5-13)7-17)12-10-6-16-18(2)11(10)14-8-15-12/h6,8-9H,3-5,7,13H2,1-2H3.
What are the key properties of [4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]methanamine?
[4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]methanamine has a molecular weight of 261.33 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]methanamine is sourced from PubChem (CID 80506211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).