3-(6-methoxypurin-9-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine

C15H24N6O2 — CID 46903476

IUPAC3-(6-methoxypurin-9-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine
SMILESCOc1ncnc2c1ncn2CCCNCCN1CCOCC1
InChIInChI=1S/C15H24N6O2/c1-22-15-13-14(17-11-18-15)21(12-19-13)5-2-3-16-4-6-20-7-9-23-10-8-20/h11-12,16H,2-10H2,1H3
InChIKeyJXVPCRSWZHDBGU-UHFFFAOYSA-N
MW320.40 g/mol
LogP0.15
Rot. Bonds8

About 3-(6-methoxypurin-9-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine

3-(6-methoxypurin-9-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine (PubChem CID 46903476) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-(6-methoxypurin-9-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3-(6-methoxypurin-9-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine
PubChem CID46903476
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name3-(6-methoxypurin-9-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine
SMILESCOc1ncnc2c1ncn2CCCNCCN1CCOCC1
InChIInChI=1S/C15H24N6O2/c1-22-15-13-14(17-11-18-15)21(12-19-13)5-2-3-16-4-6-20-7-9-23-10-8-20/h11-12,16H,2-10H2,1H3
InChIKeyJXVPCRSWZHDBGU-UHFFFAOYSA-N
XLogP0.15
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 3-(6-methoxypurin-9-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine?
The IUPAC name of 3-(6-methoxypurin-9-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine (CID 46903476) is 3-(6-methoxypurin-9-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine.
What is the SMILES notation for 3-(6-methoxypurin-9-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine?
The canonical SMILES for 3-(6-methoxypurin-9-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine is COc1ncnc2c1ncn2CCCNCCN1CCOCC1.
What is the InChIKey of 3-(6-methoxypurin-9-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine?
The InChIKey is JXVPCRSWZHDBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-22-15-13-14(17-11-18-15)21(12-19-13)5-2-3-16-4-6-20-7-9-23-10-8-20/h11-12,16H,2-10H2,1H3.
What are the key properties of 3-(6-methoxypurin-9-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine?
3-(6-methoxypurin-9-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine has a molecular weight of 320.40 g/mol, XLogP of 0.15, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxypurin-9-yl)-N-(2-morpholin-4-ylethyl)propan-1-amine is sourced from PubChem (CID 46903476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).