6-(4-pyrazolidin-3-ylpiperidin-1-yl)-7H-purine

C13H19N7 — CID 133300022

IUPAC6-(4-pyrazolidin-3-ylpiperidin-1-yl)-7H-purine
SMILESc1nc(N2CCC(C3CCNN3)CC2)c2[nH]cnc2n1
InChIInChI=1S/C13H19N7/c1-4-18-19-10(1)9-2-5-20(6-3-9)13-11-12(15-7-14-11)16-8-17-13/h7-10,18-19H,1-6H2,(H,14,15,16,17)
InChIKeyRQMCENGQSGCDHR-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.44
Rot. Bonds2

About 6-(4-pyrazolidin-3-ylpiperidin-1-yl)-7H-purine

6-(4-pyrazolidin-3-ylpiperidin-1-yl)-7H-purine (PubChem CID 133300022) has the molecular formula C13H19N7 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-(4-pyrazolidin-3-ylpiperidin-1-yl)-7H-purine.

Molecular Properties

Compound Name6-(4-pyrazolidin-3-ylpiperidin-1-yl)-7H-purine
PubChem CID133300022
Molecular FormulaC13H19N7
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name6-(4-pyrazolidin-3-ylpiperidin-1-yl)-7H-purine
SMILESc1nc(N2CCC(C3CCNN3)CC2)c2[nH]cnc2n1
InChIInChI=1S/C13H19N7/c1-4-18-19-10(1)9-2-5-20(6-3-9)13-11-12(15-7-14-11)16-8-17-13/h7-10,18-19H,1-6H2,(H,14,15,16,17)
InChIKeyRQMCENGQSGCDHR-UHFFFAOYSA-N
XLogP0.44
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
1-(7H-purin-6-yl)piperidine-4-carbonitrile
CID 48933380
6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine
CID 166246145
1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol
CID 138385634
1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine
CID 103976832
6-(1,4-diazepan-1-yl)-7H-purine
CID 3702788
6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
CID 23605644
6-(3-methylpiperazin-1-yl)-7H-purine
CID 62479456
[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanamine
CID 62061504
4-(7H-purin-6-yl)piperazine-1-carbaldehyde
CID 118720796
6-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-7H-purine
CID 67232922
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-7H-purine
CID 72859199

Frequently Asked Questions

What is the IUPAC name of 6-(4-pyrazolidin-3-ylpiperidin-1-yl)-7H-purine?
The IUPAC name of 6-(4-pyrazolidin-3-ylpiperidin-1-yl)-7H-purine (CID 133300022) is 6-(4-pyrazolidin-3-ylpiperidin-1-yl)-7H-purine.
What is the SMILES notation for 6-(4-pyrazolidin-3-ylpiperidin-1-yl)-7H-purine?
The canonical SMILES for 6-(4-pyrazolidin-3-ylpiperidin-1-yl)-7H-purine is c1nc(N2CCC(C3CCNN3)CC2)c2[nH]cnc2n1.
What is the InChIKey of 6-(4-pyrazolidin-3-ylpiperidin-1-yl)-7H-purine?
The InChIKey is RQMCENGQSGCDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7/c1-4-18-19-10(1)9-2-5-20(6-3-9)13-11-12(15-7-14-11)16-8-17-13/h7-10,18-19H,1-6H2,(H,14,15,16,17).
What are the key properties of 6-(4-pyrazolidin-3-ylpiperidin-1-yl)-7H-purine?
6-(4-pyrazolidin-3-ylpiperidin-1-yl)-7H-purine has a molecular weight of 273.34 g/mol, XLogP of 0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyrazolidin-3-ylpiperidin-1-yl)-7H-purine is sourced from PubChem (CID 133300022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).