9-methyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpurine

C14H21N7 — CID 15016744

IUPAC9-methyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpurine
SMILESCn1cnc2c(N3CCNCC3)nc(N3CCCC3)nc21
InChIInChI=1S/C14H21N7/c1-19-10-16-11-12(19)17-14(21-6-2-3-7-21)18-13(11)20-8-4-15-5-9-20/h10,15H,2-9H2,1H3
InChIKeyHZOLAJVVXGFBNQ-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.37
Rot. Bonds2

About 9-methyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpurine

9-methyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpurine (PubChem CID 15016744) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is 9-methyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpurine.

Molecular Properties

Compound Name9-methyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpurine
PubChem CID15016744
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name9-methyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpurine
SMILESCn1cnc2c(N3CCNCC3)nc(N3CCCC3)nc21
InChIInChI=1S/C14H21N7/c1-19-10-16-11-12(19)17-14(21-6-2-3-7-21)18-13(11)20-8-4-15-5-9-20/h10,15H,2-9H2,1H3
InChIKeyHZOLAJVVXGFBNQ-UHFFFAOYSA-N
XLogP0.37
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-9-methyl-6-piperazin-1-ylpurine
CID 15016753
6-(azetidin-1-yl)-9-methylpurine
CID 147079717
2-piperazin-1-yl-4,6-di(piperidin-1-yl)-1,3,5-triazine
CID 655485
4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine
CID 167824678
3-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine
CID 84683018
3-(9-methyl-6-piperidin-1-ylpurin-2-yl)benzene-1,2-diol
CID 155552477
N,N,9-trimethyl-6-(4-methylpiperazin-1-yl)purin-2-amine
CID 15016760
1-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 50795352
6,7-dimethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylquinazoline
CID 137380754
6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-8H-pteridin-7-one
CID 86616759
7-(2,6-dipyrrolidin-1-ylpurin-9-yl)-N-hydroxyheptanamide
CID 118374559
2-methoxy-9-(2-methoxyethyl)-6-piperazin-1-ylpurine;dihydrochloride
CID 70047208

Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpurine?
The IUPAC name of 9-methyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpurine (CID 15016744) is 9-methyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpurine.
What is the SMILES notation for 9-methyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpurine?
The canonical SMILES for 9-methyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpurine is Cn1cnc2c(N3CCNCC3)nc(N3CCCC3)nc21.
What is the InChIKey of 9-methyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpurine?
The InChIKey is HZOLAJVVXGFBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c1-19-10-16-11-12(19)17-14(21-6-2-3-7-21)18-13(11)20-8-4-15-5-9-20/h10,15H,2-9H2,1H3.
What are the key properties of 9-methyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpurine?
9-methyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpurine has a molecular weight of 287.37 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpurine is sourced from PubChem (CID 15016744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).