1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine

C11H16N6 — CID 2808976

IUPAC1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCN1CCN(c2ncnc3c2cnn3C)CC1
InChIInChI=1S/C11H16N6/c1-15-3-5-17(6-4-15)11-9-7-14-16(2)10(9)12-8-13-11/h7-8H,3-6H2,1-2H3
InChIKeyUPBVCVUSEFDVOW-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.12
Rot. Bonds1

About 1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine

1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine (PubChem CID 2808976) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
PubChem CID2808976
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCN1CCN(c2ncnc3c2cnn3C)CC1
InChIInChI=1S/C11H16N6/c1-15-3-5-17(6-4-15)11-9-7-14-16(2)10(9)12-8-13-11/h7-8H,3-6H2,1-2H3
InChIKeyUPBVCVUSEFDVOW-UHFFFAOYSA-N
XLogP0.12
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine (CID 2808976) is 1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine is CN1CCN(c2ncnc3c2cnn3C)CC1.
What is the InChIKey of 1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is UPBVCVUSEFDVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-15-3-5-17(6-4-15)11-9-7-14-16(2)10(9)12-8-13-11/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 232.29 g/mol, XLogP of 0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 2808976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).