6-(4-ethylpiperazin-1-yl)-9-(3-pyrrolidin-1-ylpropyl)purin-2-amine

C18H30N8 — CID 155095258

IUPAC6-(4-ethylpiperazin-1-yl)-9-(3-pyrrolidin-1-ylpropyl)purin-2-amine
SMILESCCN1CCN(c2nc(N)nc3c2ncn3CCCN2CCCC2)CC1
InChIInChI=1S/C18H30N8/c1-2-23-10-12-25(13-11-23)16-15-17(22-18(19)21-16)26(14-20-15)9-5-8-24-6-3-4-7-24/h14H,2-13H2,1H3,(H2,19,21,22)
InChIKeyVOZBGKKZIZMDOW-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.04
Rot. Bonds6

About 6-(4-ethylpiperazin-1-yl)-9-(3-pyrrolidin-1-ylpropyl)purin-2-amine

6-(4-ethylpiperazin-1-yl)-9-(3-pyrrolidin-1-ylpropyl)purin-2-amine (PubChem CID 155095258) has the molecular formula C18H30N8 and a molecular weight of 358.49 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-9-(3-pyrrolidin-1-ylpropyl)purin-2-amine.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-9-(3-pyrrolidin-1-ylpropyl)purin-2-amine
PubChem CID155095258
Molecular FormulaC18H30N8
Molecular Weight358.49 g/mol
Exact Mass358.26
IUPAC Name6-(4-ethylpiperazin-1-yl)-9-(3-pyrrolidin-1-ylpropyl)purin-2-amine
SMILESCCN1CCN(c2nc(N)nc3c2ncn3CCCN2CCCC2)CC1
InChIInChI=1S/C18H30N8/c1-2-23-10-12-25(13-11-23)16-15-17(22-18(19)21-16)26(14-20-15)9-5-8-24-6-3-4-7-24/h14H,2-13H2,1H3,(H2,19,21,22)
InChIKeyVOZBGKKZIZMDOW-UHFFFAOYSA-N
XLogP1.04
TPSA79.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-Methyladenine
CID 71593
9-Methyladenine
CID 69689
9-(Tetrahydrofuran-2-yl)-9h-purin-6-amine
CID 5270
9-Ethyladenine
CID 7
9-(Tetrahydro-2-furyl)-adenine
CID 22879197
8-Bromo-9-ethyladenine
CID 5248753
9-Cyclopentyladenine
CID 12852
9H-Purin-6-amine, N,9-dimethyl-
CID 94845
N-Cyclopentyl-9-methyl-9H-purin-6-amine
CID 4401
6-(4-methylpiperazin-1-yl)-7H-purine
CID 756701
6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9H-purine-2-carbonitrile
CID 5288616
9-Propyl-9h-purin-6-amine
CID 247436

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-9-(3-pyrrolidin-1-ylpropyl)purin-2-amine?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-9-(3-pyrrolidin-1-ylpropyl)purin-2-amine (CID 155095258) is 6-(4-ethylpiperazin-1-yl)-9-(3-pyrrolidin-1-ylpropyl)purin-2-amine.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-9-(3-pyrrolidin-1-ylpropyl)purin-2-amine?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-9-(3-pyrrolidin-1-ylpropyl)purin-2-amine is CCN1CCN(c2nc(N)nc3c2ncn3CCCN2CCCC2)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-9-(3-pyrrolidin-1-ylpropyl)purin-2-amine?
The InChIKey is VOZBGKKZIZMDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N8/c1-2-23-10-12-25(13-11-23)16-15-17(22-18(19)21-16)26(14-20-15)9-5-8-24-6-3-4-7-24/h14H,2-13H2,1H3,(H2,19,21,22).
What are the key properties of 6-(4-ethylpiperazin-1-yl)-9-(3-pyrrolidin-1-ylpropyl)purin-2-amine?
6-(4-ethylpiperazin-1-yl)-9-(3-pyrrolidin-1-ylpropyl)purin-2-amine has a molecular weight of 358.49 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-9-(3-pyrrolidin-1-ylpropyl)purin-2-amine is sourced from PubChem (CID 155095258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).