2-chloro-9-cyclopentyl-N-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]purin-6-amine

C23H36ClN7 — CID 18001939

IUPAC2-chloro-9-cyclopentyl-N-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]purin-6-amine
SMILESClc1nc(NN2CCC(CCCN3CCCCC3)CC2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C23H36ClN7/c24-23-26-21(20-22(27-23)31(17-25-20)19-8-2-3-9-19)28-30-15-10-18(11-16-30)7-6-14-29-12-4-1-5-13-29/h17-19H,1-16H2,(H,26,27,28)
InChIKeyCGTXXYAYSQXMDT-UHFFFAOYSA-N
MW446.04 g/mol
LogP4.90
Rot. Bonds7

About 2-chloro-9-cyclopentyl-N-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]purin-6-amine

2-chloro-9-cyclopentyl-N-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]purin-6-amine (PubChem CID 18001939) has the molecular formula C23H36ClN7 and a molecular weight of 446.04 g/mol. Its IUPAC name is 2-chloro-9-cyclopentyl-N-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]purin-6-amine.

Molecular Properties

Compound Name2-chloro-9-cyclopentyl-N-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]purin-6-amine
PubChem CID18001939
Molecular FormulaC23H36ClN7
Molecular Weight446.04 g/mol
Exact Mass445.27
IUPAC Name2-chloro-9-cyclopentyl-N-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]purin-6-amine
SMILESClc1nc(NN2CCC(CCCN3CCCCC3)CC2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C23H36ClN7/c24-23-26-21(20-22(27-23)31(17-25-20)19-8-2-3-9-19)28-30-15-10-18(11-16-30)7-6-14-29-12-4-1-5-13-29/h17-19H,1-16H2,(H,26,27,28)
InChIKeyCGTXXYAYSQXMDT-UHFFFAOYSA-N
XLogP4.90
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.04
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-9-cyclopentyl-N-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]purin-6-amine
CID 18001854
2-chloro-9-cyclopentyl-N-(4-pentylpiperidin-1-yl)purin-6-amine;N-propylpropan-1-amine
CID 18001693
N-butylbutan-1-amine;2-chloro-9-cyclopentyl-N-(4-ethylpiperidin-1-yl)purin-6-amine
CID 18002086
2-N-(1-aminocyclohexyl)-9-cyclopentyl-6-N-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]purine-2,6-diamine
CID 18002277
2-chloro-9-cyclopentyl-N-[4-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]purin-6-amine
CID 18002167
2-chloro-9-cyclopentyl-N-[4-(1-methoxypropyl)piperidin-1-yl]purin-6-amine
CID 18001801
2-chloro-9-cyclopentyl-N-[4-[(2-methyl-5H-1,3-thiazol-2-yl)methyl]piperidin-1-yl]purin-6-amine
CID 91039080
2-chloro-9-cyclopentyl-6-[2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrrol-2-yl]purine
CID 57231582
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-(6-phenylmethoxyhexyl)piperidin-1-yl]purine-2,6-diamine
CID 18002188
2-chloro-9-cyclopentyl-N-(3-phenylpropyl)purin-6-amine
CID 18473321
2-N-(4-aminocyclohexyl)-6-N-[4-[(2-chloro-4-fluorophenyl)methyl]piperidin-1-yl]-9-cyclopentylpurine-2,6-diamine
CID 18001859
N-[4-[(2-chloro-9-cyclohexylpurin-6-yl)amino]phenyl]acetamide
CID 117089119

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-cyclopentyl-N-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]purin-6-amine?
The IUPAC name of 2-chloro-9-cyclopentyl-N-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]purin-6-amine (CID 18001939) is 2-chloro-9-cyclopentyl-N-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]purin-6-amine.
What is the SMILES notation for 2-chloro-9-cyclopentyl-N-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]purin-6-amine?
The canonical SMILES for 2-chloro-9-cyclopentyl-N-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]purin-6-amine is Clc1nc(NN2CCC(CCCN3CCCCC3)CC2)c2ncn(C3CCCC3)c2n1.
What is the InChIKey of 2-chloro-9-cyclopentyl-N-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]purin-6-amine?
The InChIKey is CGTXXYAYSQXMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36ClN7/c24-23-26-21(20-22(27-23)31(17-25-20)19-8-2-3-9-19)28-30-15-10-18(11-16-30)7-6-14-29-12-4-1-5-13-29/h17-19H,1-16H2,(H,26,27,28).
What are the key properties of 2-chloro-9-cyclopentyl-N-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]purin-6-amine?
2-chloro-9-cyclopentyl-N-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]purin-6-amine has a molecular weight of 446.04 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-cyclopentyl-N-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]purin-6-amine is sourced from PubChem (CID 18001939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).