2-N-(2-aminoethyl)-9-cyclopentyl-6-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]purine-2,6-diamine

C23H34N10 — CID 162511204

IUPAC2-N-(2-aminoethyl)-9-cyclopentyl-6-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]purine-2,6-diamine
SMILESCCN1CCN(c2ccncc2Nc2nc(NCCN)nc3c2ncn3C2CCCC2)CC1
InChIInChI=1S/C23H34N10/c1-2-31-11-13-32(14-12-31)19-7-9-25-15-18(19)28-21-20-22(30-23(29-21)26-10-8-24)33(16-27-20)17-5-3-4-6-17/h7,9,15-17H,2-6,8,10-14,24H2,1H3,(H2,26,28,29,30)
InChIKeyJOYSLIWWXASHLR-UHFFFAOYSA-N
MW450.60 g/mol
LogP2.59
Rot. Bonds8

About 2-N-(2-aminoethyl)-9-cyclopentyl-6-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]purine-2,6-diamine

2-N-(2-aminoethyl)-9-cyclopentyl-6-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]purine-2,6-diamine (PubChem CID 162511204) has the molecular formula C23H34N10 and a molecular weight of 450.60 g/mol. Its IUPAC name is 2-N-(2-aminoethyl)-9-cyclopentyl-6-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]purine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-aminoethyl)-9-cyclopentyl-6-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]purine-2,6-diamine
PubChem CID162511204
Molecular FormulaC23H34N10
Molecular Weight450.60 g/mol
Exact Mass450.30
IUPAC Name2-N-(2-aminoethyl)-9-cyclopentyl-6-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]purine-2,6-diamine
SMILESCCN1CCN(c2ccncc2Nc2nc(NCCN)nc3c2ncn3C2CCCC2)CC1
InChIInChI=1S/C23H34N10/c1-2-31-11-13-32(14-12-31)19-7-9-25-15-18(19)28-21-20-22(30-23(29-21)26-10-8-24)33(16-27-20)17-5-3-4-6-17/h7,9,15-17H,2-6,8,10-14,24H2,1H3,(H2,26,28,29,30)
InChIKeyJOYSLIWWXASHLR-UHFFFAOYSA-N
XLogP2.59
TPSA113.05 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.60
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-N-(2-aminoethyl)-9-cyclopentyl-6-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]purine-2,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminoethyl)-9-cyclopentyl-6-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]purine-2,6-diamine?
The IUPAC name of 2-N-(2-aminoethyl)-9-cyclopentyl-6-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]purine-2,6-diamine (CID 162511204) is 2-N-(2-aminoethyl)-9-cyclopentyl-6-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]purine-2,6-diamine.
What is the SMILES notation for 2-N-(2-aminoethyl)-9-cyclopentyl-6-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]purine-2,6-diamine?
The canonical SMILES for 2-N-(2-aminoethyl)-9-cyclopentyl-6-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]purine-2,6-diamine is CCN1CCN(c2ccncc2Nc2nc(NCCN)nc3c2ncn3C2CCCC2)CC1.
What is the InChIKey of 2-N-(2-aminoethyl)-9-cyclopentyl-6-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]purine-2,6-diamine?
The InChIKey is JOYSLIWWXASHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N10/c1-2-31-11-13-32(14-12-31)19-7-9-25-15-18(19)28-21-20-22(30-23(29-21)26-10-8-24)33(16-27-20)17-5-3-4-6-17/h7,9,15-17H,2-6,8,10-14,24H2,1H3,(H2,26,28,29,30).
What are the key properties of 2-N-(2-aminoethyl)-9-cyclopentyl-6-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]purine-2,6-diamine?
2-N-(2-aminoethyl)-9-cyclopentyl-6-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]purine-2,6-diamine has a molecular weight of 450.60 g/mol, XLogP of 2.59, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminoethyl)-9-cyclopentyl-6-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]purine-2,6-diamine is sourced from PubChem (CID 162511204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).