[4-[[2-(3-aminopropylamino)-9-cyclopentylpurin-6-yl]amino]phenyl]-morpholin-4-ylmethanone

C24H32N8O2 — CID 151387867

IUPAC[4-[[2-(3-aminopropylamino)-9-cyclopentylpurin-6-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESNCCCNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C24H32N8O2/c25-10-3-11-26-24-29-21(20-22(30-24)32(16-27-20)19-4-1-2-5-19)28-18-8-6-17(7-9-18)23(33)31-12-14-34-15-13-31/h6-9,16,19H,1-5,10-15,25H2,(H2,26,28,29,30)
InChIKeyOTULZPWZOXZADX-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.92
Rot. Bonds8

About [4-[[2-(3-aminopropylamino)-9-cyclopentylpurin-6-yl]amino]phenyl]-morpholin-4-ylmethanone

[4-[[2-(3-aminopropylamino)-9-cyclopentylpurin-6-yl]amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 151387867) has the molecular formula C24H32N8O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is [4-[[2-(3-aminopropylamino)-9-cyclopentylpurin-6-yl]amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[2-(3-aminopropylamino)-9-cyclopentylpurin-6-yl]amino]phenyl]-morpholin-4-ylmethanone
PubChem CID151387867
Molecular FormulaC24H32N8O2
Molecular Weight464.57 g/mol
Exact Mass464.26
IUPAC Name[4-[[2-(3-aminopropylamino)-9-cyclopentylpurin-6-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESNCCCNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C24H32N8O2/c25-10-3-11-26-24-29-21(20-22(30-24)32(16-27-20)19-4-1-2-5-19)28-18-8-6-17(7-9-18)23(33)31-12-14-34-15-13-31/h6-9,16,19H,1-5,10-15,25H2,(H2,26,28,29,30)
InChIKeyOTULZPWZOXZADX-UHFFFAOYSA-N
XLogP2.92
TPSA123.22 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(3-aminopropylamino)-9-cyclopentylpurin-6-yl]amino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[2-(3-aminopropylamino)-9-cyclopentylpurin-6-yl]amino]phenyl]-morpholin-4-ylmethanone (CID 151387867) is [4-[[2-(3-aminopropylamino)-9-cyclopentylpurin-6-yl]amino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[2-(3-aminopropylamino)-9-cyclopentylpurin-6-yl]amino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[2-(3-aminopropylamino)-9-cyclopentylpurin-6-yl]amino]phenyl]-morpholin-4-ylmethanone is NCCCNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1.
What is the InChIKey of [4-[[2-(3-aminopropylamino)-9-cyclopentylpurin-6-yl]amino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is OTULZPWZOXZADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8O2/c25-10-3-11-26-24-29-21(20-22(30-24)32(16-27-20)19-4-1-2-5-19)28-18-8-6-17(7-9-18)23(33)31-12-14-34-15-13-31/h6-9,16,19H,1-5,10-15,25H2,(H2,26,28,29,30).
What are the key properties of [4-[[2-(3-aminopropylamino)-9-cyclopentylpurin-6-yl]amino]phenyl]-morpholin-4-ylmethanone?
[4-[[2-(3-aminopropylamino)-9-cyclopentylpurin-6-yl]amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 464.57 g/mol, XLogP of 2.92, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(3-aminopropylamino)-9-cyclopentylpurin-6-yl]amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 151387867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).