9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)purin-6-amine

C24H34N10 — CID 160921333

IUPAC9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)purin-6-amine
SMILESCN1CCN(c2nc(Nc3ccc(N4CCNCC4)nc3)c3ncn(C4CCCC4)c3n2)CC1
InChIInChI=1S/C24H34N10/c1-31-12-14-33(15-13-31)24-29-22(21-23(30-24)34(17-27-21)19-4-2-3-5-19)28-18-6-7-20(26-16-18)32-10-8-25-9-11-32/h6-7,16-17,19,25H,2-5,8-15H2,1H3,(H,28,29,30)
InChIKeySSBLZIRRCBAVLJ-UHFFFAOYSA-N
MW462.61 g/mol
LogP2.24
Rot. Bonds5

About 9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)purin-6-amine

9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)purin-6-amine (PubChem CID 160921333) has the molecular formula C24H34N10 and a molecular weight of 462.61 g/mol. Its IUPAC name is 9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)purin-6-amine.

Molecular Properties

Compound Name9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)purin-6-amine
PubChem CID160921333
Molecular FormulaC24H34N10
Molecular Weight462.61 g/mol
Exact Mass462.30
IUPAC Name9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)purin-6-amine
SMILESCN1CCN(c2nc(Nc3ccc(N4CCNCC4)nc3)c3ncn(C4CCCC4)c3n2)CC1
InChIInChI=1S/C24H34N10/c1-31-12-14-33(15-13-31)24-29-22(21-23(30-24)34(17-27-21)19-4-2-3-5-19)28-18-6-7-20(26-16-18)32-10-8-25-9-11-32/h6-7,16-17,19,25H,2-5,8-15H2,1H3,(H,28,29,30)
InChIKeySSBLZIRRCBAVLJ-UHFFFAOYSA-N
XLogP2.24
TPSA90.27 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.61
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)purin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

[5-[(9-cyclopentyl-2-morpholin-4-ylpurin-6-yl)amino]-2-pyridinyl]-piperazin-1-ylmethanone
CID 158970374
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(6-morpholin-4-yl-3-pyridinyl)purine-2,6-diamine
CID 142432629
9-cyclopentyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-piperazin-1-ylpurin-6-amine
CID 90332579
2-[4-[[(9-cyclopentyl-2-piperazin-1-ylpurin-6-yl)amino]methyl]phenyl]phenol
CID 118590066
4-[[9-cyclopentyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]purin-2-yl]amino]butylurea
CID 162511206
2-chloro-9-cyclopentyl-N-(2,3-dihydro-1H-inden-5-yl)purin-6-amine;1-[9-cyclopentyl-6-(2,3-dihydro-1H-inden-5-ylamino)purin-2-yl]piperidin-3-ol
CID 159770300
9-cyclohexyl-N-cyclopropyl-2-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine
CID 117089738
2-[[9-cyclopentyl-6-[4-(piperazine-1-carbonyl)anilino]purin-2-yl]amino]acetamide
CID 157235463
9-tert-butyl-2-(3-fluoropyrrolidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]purin-6-amine
CID 123387648
N-(3-chlorophenyl)-2-piperazin-1-yl-9-propan-2-ylpurin-6-amine
CID 10429330
7-cyclopentyl-N,N,5-trimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 129292960
9-cyclohexyl-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)purin-6-amine
CID 117084130

Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)purin-6-amine?
The IUPAC name of 9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)purin-6-amine (CID 160921333) is 9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)purin-6-amine.
What is the SMILES notation for 9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)purin-6-amine?
The canonical SMILES for 9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)purin-6-amine is CN1CCN(c2nc(Nc3ccc(N4CCNCC4)nc3)c3ncn(C4CCCC4)c3n2)CC1.
What is the InChIKey of 9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)purin-6-amine?
The InChIKey is SSBLZIRRCBAVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N10/c1-31-12-14-33(15-13-31)24-29-22(21-23(30-24)34(17-27-21)19-4-2-3-5-19)28-18-6-7-20(26-16-18)32-10-8-25-9-11-32/h6-7,16-17,19,25H,2-5,8-15H2,1H3,(H,28,29,30).
What are the key properties of 9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)purin-6-amine?
9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)purin-6-amine has a molecular weight of 462.61 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)purin-6-amine is sourced from PubChem (CID 160921333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).