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

C21H32ClN7O — CID 18001854

IUPAC2-chloro-9-cyclopentyl-N-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]purin-6-amine
SMILESClc1nc(NN2CCC(CCN3CCOCC3)CC2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C21H32ClN7O/c22-21-24-19(18-20(25-21)29(15-23-18)17-3-1-2-4-17)26-28-9-6-16(7-10-28)5-8-27-11-13-30-14-12-27/h15-17H,1-14H2,(H,24,25,26)
InChIKeyBNLMZHABEOOKPV-UHFFFAOYSA-N
MW433.99 g/mol
LogP3.36
Rot. Bonds6

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

2-chloro-9-cyclopentyl-N-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]purin-6-amine (PubChem CID 18001854) has the molecular formula C21H32ClN7O and a molecular weight of 433.99 g/mol. Its IUPAC name is 2-chloro-9-cyclopentyl-N-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]purin-6-amine.

Molecular Properties

Compound Name2-chloro-9-cyclopentyl-N-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]purin-6-amine
PubChem CID18001854
Molecular FormulaC21H32ClN7O
Molecular Weight433.99 g/mol
Exact Mass433.24
IUPAC Name2-chloro-9-cyclopentyl-N-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]purin-6-amine
SMILESClc1nc(NN2CCC(CCN3CCOCC3)CC2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C21H32ClN7O/c22-21-24-19(18-20(25-21)29(15-23-18)17-3-1-2-4-17)26-28-9-6-16(7-10-28)5-8-27-11-13-30-14-12-27/h15-17H,1-14H2,(H,24,25,26)
InChIKeyBNLMZHABEOOKPV-UHFFFAOYSA-N
XLogP3.36
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.99
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-chloro-9-cyclopentyl-N-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]purin-6-amine
CID 18001939
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-chloro-9-cyclopentyl-N-[4-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]purin-6-amine
CID 18002167
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-(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
9-cyclohexyl-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)purin-6-amine
CID 117084130
9-cyclohexyl-2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine
CID 117092719
9-cyclohexyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)purin-6-amine
CID 117085252
2-N-(4-aminocyclohexyl)-6-N-[4-[(2-chloro-4-fluorophenyl)methyl]piperidin-1-yl]-9-cyclopentylpurine-2,6-diamine
CID 18001859

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-cyclopentyl-N-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]purin-6-amine?
The IUPAC name of 2-chloro-9-cyclopentyl-N-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]purin-6-amine (CID 18001854) is 2-chloro-9-cyclopentyl-N-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]purin-6-amine.
What is the SMILES notation for 2-chloro-9-cyclopentyl-N-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]purin-6-amine?
The canonical SMILES for 2-chloro-9-cyclopentyl-N-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]purin-6-amine is Clc1nc(NN2CCC(CCN3CCOCC3)CC2)c2ncn(C3CCCC3)c2n1.
What is the InChIKey of 2-chloro-9-cyclopentyl-N-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]purin-6-amine?
The InChIKey is BNLMZHABEOOKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32ClN7O/c22-21-24-19(18-20(25-21)29(15-23-18)17-3-1-2-4-17)26-28-9-6-16(7-10-28)5-8-27-11-13-30-14-12-27/h15-17H,1-14H2,(H,24,25,26).
What are the key properties of 2-chloro-9-cyclopentyl-N-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]purin-6-amine?
2-chloro-9-cyclopentyl-N-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]purin-6-amine has a molecular weight of 433.99 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-cyclopentyl-N-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]purin-6-amine is sourced from PubChem (CID 18001854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).