1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

C13H21N7 — CID 60710985

IUPAC1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN1CCN(CCNc2ncnc3c2cnn3C)CC1
InChIInChI=1S/C13H21N7/c1-18-5-7-20(8-6-18)4-3-14-12-11-9-17-19(2)13(11)16-10-15-12/h9-10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyWCRQKDRMLJMXDA-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.02
Rot. Bonds4

About 1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 60710985) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID60710985
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN1CCN(CCNc2ncnc3c2cnn3C)CC1
InChIInChI=1S/C13H21N7/c1-18-5-7-20(8-6-18)4-3-14-12-11-9-17-19(2)13(11)16-10-15-12/h9-10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyWCRQKDRMLJMXDA-UHFFFAOYSA-N
XLogP0.02
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 60710985) is 1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is CN1CCN(CCNc2ncnc3c2cnn3C)CC1.
What is the InChIKey of 1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WCRQKDRMLJMXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-18-5-7-20(8-6-18)4-3-14-12-11-9-17-19(2)13(11)16-10-15-12/h9-10H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 60710985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).