4-[3-(6-aminopurin-9-yl)propyl]morpholine-3,5-dione

C12H14N6O3 — CID 66424528

IUPAC4-[3-(6-aminopurin-9-yl)propyl]morpholine-3,5-dione
SMILESNc1ncnc2c1ncn2CCCN1C(=O)COCC1=O
InChIInChI=1S/C12H14N6O3/c13-11-10-12(15-6-14-11)17(7-16-10)2-1-3-18-8(19)4-21-5-9(18)20/h6-7H,1-5H2,(H2,13,14,15)
InChIKeyQLTDRZNRJLHBGO-UHFFFAOYSA-N
MW290.28 g/mol
LogP-0.82
Rot. Bonds4

About 4-[3-(6-aminopurin-9-yl)propyl]morpholine-3,5-dione

4-[3-(6-aminopurin-9-yl)propyl]morpholine-3,5-dione (PubChem CID 66424528) has the molecular formula C12H14N6O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 4-[3-(6-aminopurin-9-yl)propyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[3-(6-aminopurin-9-yl)propyl]morpholine-3,5-dione
PubChem CID66424528
Molecular FormulaC12H14N6O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name4-[3-(6-aminopurin-9-yl)propyl]morpholine-3,5-dione
SMILESNc1ncnc2c1ncn2CCCN1C(=O)COCC1=O
InChIInChI=1S/C12H14N6O3/c13-11-10-12(15-6-14-11)17(7-16-10)2-1-3-18-8(19)4-21-5-9(18)20/h6-7H,1-5H2,(H2,13,14,15)
InChIKeyQLTDRZNRJLHBGO-UHFFFAOYSA-N
XLogP-0.82
TPSA116.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(3aR,4S,7R,7aS)-2-[3-(6-aminopurin-9-yl)propyl]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 101208829
9-(10-bromodecyl)purin-6-amine
CID 10831944
1-[3-(6-aminopurin-9-yl)propyl]pyrimidin-2-one
CID 66424327
9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine
CID 62898747
9-nonylpurin-6-amine
CID 3816519
3-(6-aminopurin-9-yl)propane-1-sulfonic acid
CID 14056435
9-[3-(3,3-dimethylmorpholin-4-yl)propyl]purin-6-amine
CID 62897812
9-[5-[5-(6-aminopurin-9-yl)pentyldisulfanyl]pentyl]purin-6-amine
CID 102169719
9-pent-4-ynylpurin-6-amine
CID 91098853
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
[3-(6-aminopurin-9-yl)propyl-dimethylsilyl]methanol
CID 10061415
(2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid
CID 15518562

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-aminopurin-9-yl)propyl]morpholine-3,5-dione?
The IUPAC name of 4-[3-(6-aminopurin-9-yl)propyl]morpholine-3,5-dione (CID 66424528) is 4-[3-(6-aminopurin-9-yl)propyl]morpholine-3,5-dione.
What is the SMILES notation for 4-[3-(6-aminopurin-9-yl)propyl]morpholine-3,5-dione?
The canonical SMILES for 4-[3-(6-aminopurin-9-yl)propyl]morpholine-3,5-dione is Nc1ncnc2c1ncn2CCCN1C(=O)COCC1=O.
What is the InChIKey of 4-[3-(6-aminopurin-9-yl)propyl]morpholine-3,5-dione?
The InChIKey is QLTDRZNRJLHBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O3/c13-11-10-12(15-6-14-11)17(7-16-10)2-1-3-18-8(19)4-21-5-9(18)20/h6-7H,1-5H2,(H2,13,14,15).
What are the key properties of 4-[3-(6-aminopurin-9-yl)propyl]morpholine-3,5-dione?
4-[3-(6-aminopurin-9-yl)propyl]morpholine-3,5-dione has a molecular weight of 290.28 g/mol, XLogP of -0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-aminopurin-9-yl)propyl]morpholine-3,5-dione is sourced from PubChem (CID 66424528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).