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

C25H33N7O2 — CID 142432628

IUPAC9-cyclopentyl-2-morpholin-4-yl-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine
SMILESc1cc(Nc2nc(N3CCOCC3)nc3c2ncn3C2CCCC2)ccc1CN1CCOCC1
InChIInChI=1S/C25H33N7O2/c1-2-4-21(3-1)32-18-26-22-23(28-25(29-24(22)32)31-11-15-34-16-12-31)27-20-7-5-19(6-8-20)17-30-9-13-33-14-10-30/h5-8,18,21H,1-4,9-17H2,(H,27,28,29)
InChIKeyYQSOOYPNWTUJBB-UHFFFAOYSA-N
MW463.59 g/mol
LogP3.35
Rot. Bonds6

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

9-cyclopentyl-2-morpholin-4-yl-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine (PubChem CID 142432628) has the molecular formula C25H33N7O2 and a molecular weight of 463.59 g/mol. Its IUPAC name is 9-cyclopentyl-2-morpholin-4-yl-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine.

Molecular Properties

Compound Name9-cyclopentyl-2-morpholin-4-yl-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine
PubChem CID142432628
Molecular FormulaC25H33N7O2
Molecular Weight463.59 g/mol
Exact Mass463.27
IUPAC Name9-cyclopentyl-2-morpholin-4-yl-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine
SMILESc1cc(Nc2nc(N3CCOCC3)nc3c2ncn3C2CCCC2)ccc1CN1CCOCC1
InChIInChI=1S/C25H33N7O2/c1-2-4-21(3-1)32-18-26-22-23(28-25(29-24(22)32)31-11-15-34-16-12-31)27-20-7-5-19(6-8-20)17-30-9-13-33-14-10-30/h5-8,18,21H,1-4,9-17H2,(H,27,28,29)
InChIKeyYQSOOYPNWTUJBB-UHFFFAOYSA-N
XLogP3.35
TPSA80.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-2-morpholin-4-yl-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine?
The IUPAC name of 9-cyclopentyl-2-morpholin-4-yl-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine (CID 142432628) is 9-cyclopentyl-2-morpholin-4-yl-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine.
What is the SMILES notation for 9-cyclopentyl-2-morpholin-4-yl-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine?
The canonical SMILES for 9-cyclopentyl-2-morpholin-4-yl-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine is c1cc(Nc2nc(N3CCOCC3)nc3c2ncn3C2CCCC2)ccc1CN1CCOCC1.
What is the InChIKey of 9-cyclopentyl-2-morpholin-4-yl-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine?
The InChIKey is YQSOOYPNWTUJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O2/c1-2-4-21(3-1)32-18-26-22-23(28-25(29-24(22)32)31-11-15-34-16-12-31)27-20-7-5-19(6-8-20)17-30-9-13-33-14-10-30/h5-8,18,21H,1-4,9-17H2,(H,27,28,29).
What are the key properties of 9-cyclopentyl-2-morpholin-4-yl-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine?
9-cyclopentyl-2-morpholin-4-yl-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine has a molecular weight of 463.59 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-2-morpholin-4-yl-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine is sourced from PubChem (CID 142432628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).