9-methyl-6-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)purine

C16H17N9 — CID 154829396

IUPAC9-methyl-6-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)purine
SMILESCn1cnc2c(N3CCN(c4ccn5nccc5n4)CC3)ncnc21
InChIInChI=1S/C16H17N9/c1-22-11-19-14-15(22)17-10-18-16(14)24-8-6-23(7-9-24)12-3-5-25-13(21-12)2-4-20-25/h2-5,10-11H,6-9H2,1H3
InChIKeyJNRPLVHNZPDGAK-UHFFFAOYSA-N
MW335.38 g/mol
LogP0.73
Rot. Bonds2

About 9-methyl-6-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)purine

9-methyl-6-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)purine (PubChem CID 154829396) has the molecular formula C16H17N9 and a molecular weight of 335.38 g/mol. Its IUPAC name is 9-methyl-6-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)purine.

Molecular Properties

Compound Name9-methyl-6-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)purine
PubChem CID154829396
Molecular FormulaC16H17N9
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name9-methyl-6-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)purine
SMILESCn1cnc2c(N3CCN(c4ccn5nccc5n4)CC3)ncnc21
InChIInChI=1S/C16H17N9/c1-22-11-19-14-15(22)17-10-18-16(14)24-8-6-23(7-9-24)12-3-5-25-13(21-12)2-4-20-25/h2-5,10-11H,6-9H2,1H3
InChIKeyJNRPLVHNZPDGAK-UHFFFAOYSA-N
XLogP0.73
TPSA80.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 151310719
6-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-9-methylpurine
CID 163354244
5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 155942593
6-(azetidin-1-yl)-9-methylpurine
CID 147079717
9-methyl-6-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]purine
CID 171999134
4-[4-(9-methylpurin-6-yl)piperazin-1-yl]quinazoline
CID 154853696
1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-one
CID 115372220
9-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]purine
CID 154853569
1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanone
CID 163343809
1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 154853682
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-9-methylpurine
CID 154853625
7-methyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]purine
CID 154853679

Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)purine?
The IUPAC name of 9-methyl-6-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)purine (CID 154829396) is 9-methyl-6-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)purine.
What is the SMILES notation for 9-methyl-6-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)purine?
The canonical SMILES for 9-methyl-6-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)purine is Cn1cnc2c(N3CCN(c4ccn5nccc5n4)CC3)ncnc21.
What is the InChIKey of 9-methyl-6-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)purine?
The InChIKey is JNRPLVHNZPDGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N9/c1-22-11-19-14-15(22)17-10-18-16(14)24-8-6-23(7-9-24)12-3-5-25-13(21-12)2-4-20-25/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 9-methyl-6-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)purine?
9-methyl-6-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)purine has a molecular weight of 335.38 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)purine is sourced from PubChem (CID 154829396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).