7-(4-imino-4-morpholin-4-ylbutyl)-1,3-dimethylpurine-2,6-dione;hydrochloride

C15H23ClN6O3 — CID 2965244

IUPAC7-(4-imino-4-morpholin-4-ylbutyl)-1,3-dimethylpurine-2,6-dione;hydrochloride
SMILESCl.[H]/N=C(/CCCn1cnc2c1c(=O)n(C)c(=O)n2C)N1CCOCC1
InChIInChI=1S/C15H22N6O3.ClH/c1-18-13-12(14(22)19(2)15(18)23)21(10-17-13)5-3-4-11(16)20-6-8-24-9-7-20;/h10,16H,3-9H2,1-2H3;1H/b16-11-;
InChIKeyIKCPNNWJVJIZHE-MWVRIADDSA-N
MW370.84 g/mol
LogP-0.05
Rot. Bonds4

About 7-(4-imino-4-morpholin-4-ylbutyl)-1,3-dimethylpurine-2,6-dione;hydrochloride

7-(4-imino-4-morpholin-4-ylbutyl)-1,3-dimethylpurine-2,6-dione;hydrochloride (PubChem CID 2965244) has the molecular formula C15H23ClN6O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 7-(4-imino-4-morpholin-4-ylbutyl)-1,3-dimethylpurine-2,6-dione;hydrochloride.

Molecular Properties

Compound Name7-(4-imino-4-morpholin-4-ylbutyl)-1,3-dimethylpurine-2,6-dione;hydrochloride
PubChem CID2965244
Molecular FormulaC15H23ClN6O3
Molecular Weight370.84 g/mol
Exact Mass370.15
IUPAC Name7-(4-imino-4-morpholin-4-ylbutyl)-1,3-dimethylpurine-2,6-dione;hydrochloride
SMILESCl.[H]/N=C(/CCCn1cnc2c1c(=O)n(C)c(=O)n2C)N1CCOCC1
InChIInChI=1S/C15H22N6O3.ClH/c1-18-13-12(14(22)19(2)15(18)23)21(10-17-13)5-3-4-11(16)20-6-8-24-9-7-20;/h10,16H,3-9H2,1-2H3;1H/b16-11-;
InChIKeyIKCPNNWJVJIZHE-MWVRIADDSA-N
XLogP-0.05
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(4-imino-4-morpholin-4-ylbutyl)-1,3-dimethylpurine-2,6-dione;hydrochloride?
The IUPAC name of 7-(4-imino-4-morpholin-4-ylbutyl)-1,3-dimethylpurine-2,6-dione;hydrochloride (CID 2965244) is 7-(4-imino-4-morpholin-4-ylbutyl)-1,3-dimethylpurine-2,6-dione;hydrochloride.
What is the SMILES notation for 7-(4-imino-4-morpholin-4-ylbutyl)-1,3-dimethylpurine-2,6-dione;hydrochloride?
The canonical SMILES for 7-(4-imino-4-morpholin-4-ylbutyl)-1,3-dimethylpurine-2,6-dione;hydrochloride is Cl.[H]/N=C(/CCCn1cnc2c1c(=O)n(C)c(=O)n2C)N1CCOCC1.
What is the InChIKey of 7-(4-imino-4-morpholin-4-ylbutyl)-1,3-dimethylpurine-2,6-dione;hydrochloride?
The InChIKey is IKCPNNWJVJIZHE-MWVRIADDSA-N. The full InChI is InChI=1S/C15H22N6O3.ClH/c1-18-13-12(14(22)19(2)15(18)23)21(10-17-13)5-3-4-11(16)20-6-8-24-9-7-20;/h10,16H,3-9H2,1-2H3;1H/b16-11-;.
What are the key properties of 7-(4-imino-4-morpholin-4-ylbutyl)-1,3-dimethylpurine-2,6-dione;hydrochloride?
7-(4-imino-4-morpholin-4-ylbutyl)-1,3-dimethylpurine-2,6-dione;hydrochloride has a molecular weight of 370.84 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-imino-4-morpholin-4-ylbutyl)-1,3-dimethylpurine-2,6-dione;hydrochloride is sourced from PubChem (CID 2965244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).