1,3-dimethyl-4-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine

C15H24N6 — CID 70765313

IUPAC1,3-dimethyl-4-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCc1nn(C)c2ncnc(N3CC(C)(C)N(C)C[C@@H]3C)c12
InChIInChI=1S/C15H24N6/c1-10-7-19(5)15(3,4)8-21(10)14-12-11(2)18-20(6)13(12)16-9-17-14/h9-10H,7-8H2,1-6H3/t10-/m0/s1
InChIKeyYCOIKBGJSPCVAQ-JTQLQIEISA-N
MW288.40 g/mol
LogP1.59
Rot. Bonds1

About 1,3-dimethyl-4-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine

1,3-dimethyl-4-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 70765313) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 1,3-dimethyl-4-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1,3-dimethyl-4-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID70765313
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name1,3-dimethyl-4-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCc1nn(C)c2ncnc(N3CC(C)(C)N(C)C[C@@H]3C)c12
InChIInChI=1S/C15H24N6/c1-10-7-19(5)15(3,4)8-21(10)14-12-11(2)18-20(6)13(12)16-9-17-14/h9-10H,7-8H2,1-6H3/t10-/m0/s1
InChIKeyYCOIKBGJSPCVAQ-JTQLQIEISA-N
XLogP1.59
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1,3-dimethyl-4-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 70765313) is 1,3-dimethyl-4-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1,3-dimethyl-4-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1,3-dimethyl-4-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine is Cc1nn(C)c2ncnc(N3CC(C)(C)N(C)C[C@@H]3C)c12.
What is the InChIKey of 1,3-dimethyl-4-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is YCOIKBGJSPCVAQ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H24N6/c1-10-7-19(5)15(3,4)8-21(10)14-12-11(2)18-20(6)13(12)16-9-17-14/h9-10H,7-8H2,1-6H3/t10-/m0/s1.
What are the key properties of 1,3-dimethyl-4-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
1,3-dimethyl-4-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 288.40 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 70765313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).