9-cyclopentyl-2-morpholin-4-yl-N-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine

C23H30N8O2 — CID 142432636

IUPAC9-cyclopentyl-2-morpholin-4-yl-N-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine
SMILESc1cc(N2CCOCC2)ncc1Nc1nc(N2CCOCC2)nc2c1ncn2C1CCCC1
InChIInChI=1S/C23H30N8O2/c1-2-4-18(3-1)31-16-25-20-21(27-23(28-22(20)31)30-9-13-33-14-10-30)26-17-5-6-19(24-15-17)29-7-11-32-12-8-29/h5-6,15-16,18H,1-4,7-14H2,(H,26,27,28)
InChIKeyAFFQJRDALAVZMZ-UHFFFAOYSA-N
MW450.55 g/mol
LogP2.75
Rot. Bonds5

About 9-cyclopentyl-2-morpholin-4-yl-N-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine

9-cyclopentyl-2-morpholin-4-yl-N-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine (PubChem CID 142432636) has the molecular formula C23H30N8O2 and a molecular weight of 450.55 g/mol. Its IUPAC name is 9-cyclopentyl-2-morpholin-4-yl-N-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine.

Molecular Properties

Compound Name9-cyclopentyl-2-morpholin-4-yl-N-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine
PubChem CID142432636
Molecular FormulaC23H30N8O2
Molecular Weight450.55 g/mol
Exact Mass450.25
IUPAC Name9-cyclopentyl-2-morpholin-4-yl-N-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine
SMILESc1cc(N2CCOCC2)ncc1Nc1nc(N2CCOCC2)nc2c1ncn2C1CCCC1
InChIInChI=1S/C23H30N8O2/c1-2-4-18(3-1)31-16-25-20-21(27-23(28-22(20)31)30-9-13-33-14-10-30)26-17-5-6-19(24-15-17)29-7-11-32-12-8-29/h5-6,15-16,18H,1-4,7-14H2,(H,26,27,28)
InChIKeyAFFQJRDALAVZMZ-UHFFFAOYSA-N
XLogP2.75
TPSA93.46 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-2-morpholin-4-yl-N-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine?
The IUPAC name of 9-cyclopentyl-2-morpholin-4-yl-N-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine (CID 142432636) is 9-cyclopentyl-2-morpholin-4-yl-N-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine.
What is the SMILES notation for 9-cyclopentyl-2-morpholin-4-yl-N-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine?
The canonical SMILES for 9-cyclopentyl-2-morpholin-4-yl-N-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine is c1cc(N2CCOCC2)ncc1Nc1nc(N2CCOCC2)nc2c1ncn2C1CCCC1.
What is the InChIKey of 9-cyclopentyl-2-morpholin-4-yl-N-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine?
The InChIKey is AFFQJRDALAVZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O2/c1-2-4-18(3-1)31-16-25-20-21(27-23(28-22(20)31)30-9-13-33-14-10-30)26-17-5-6-19(24-15-17)29-7-11-32-12-8-29/h5-6,15-16,18H,1-4,7-14H2,(H,26,27,28).
What are the key properties of 9-cyclopentyl-2-morpholin-4-yl-N-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine?
9-cyclopentyl-2-morpholin-4-yl-N-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine has a molecular weight of 450.55 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-2-morpholin-4-yl-N-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine is sourced from PubChem (CID 142432636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).