9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine

C26H36N8O — CID 142432639

IUPAC9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine
SMILESCN1CCN(c2nc(Nc3ccc(CN4CCOCC4)cc3)c3ncn(C4CCCC4)c3n2)CC1
InChIInChI=1S/C26H36N8O/c1-31-10-12-33(13-11-31)26-29-24(23-25(30-26)34(19-27-23)22-4-2-3-5-22)28-21-8-6-20(7-9-21)18-32-14-16-35-17-15-32/h6-9,19,22H,2-5,10-18H2,1H3,(H,28,29,30)
InChIKeyWOEGHYZTQQVUIG-UHFFFAOYSA-N
MW476.63 g/mol
LogP3.27
Rot. Bonds6

About 9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine

9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine (PubChem CID 142432639) has the molecular formula C26H36N8O and a molecular weight of 476.63 g/mol. Its IUPAC name is 9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine.

Molecular Properties

Compound Name9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine
PubChem CID142432639
Molecular FormulaC26H36N8O
Molecular Weight476.63 g/mol
Exact Mass476.30
IUPAC Name9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine
SMILESCN1CCN(c2nc(Nc3ccc(CN4CCOCC4)cc3)c3ncn(C4CCCC4)c3n2)CC1
InChIInChI=1S/C26H36N8O/c1-31-10-12-33(13-11-31)26-29-24(23-25(30-26)34(19-27-23)22-4-2-3-5-22)28-21-8-6-20(7-9-21)18-32-14-16-35-17-15-32/h6-9,19,22H,2-5,10-18H2,1H3,(H,28,29,30)
InChIKeyWOEGHYZTQQVUIG-UHFFFAOYSA-N
XLogP3.27
TPSA74.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.63
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine?
The IUPAC name of 9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine (CID 142432639) is 9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine.
What is the SMILES notation for 9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine?
The canonical SMILES for 9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine is CN1CCN(c2nc(Nc3ccc(CN4CCOCC4)cc3)c3ncn(C4CCCC4)c3n2)CC1.
What is the InChIKey of 9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine?
The InChIKey is WOEGHYZTQQVUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N8O/c1-31-10-12-33(13-11-31)26-29-24(23-25(30-26)34(19-27-23)22-4-2-3-5-22)28-21-8-6-20(7-9-21)18-32-14-16-35-17-15-32/h6-9,19,22H,2-5,10-18H2,1H3,(H,28,29,30).
What are the key properties of 9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine?
9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine has a molecular weight of 476.63 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine is sourced from PubChem (CID 142432639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).