3-methyl-8-morpholin-4-yl-7-(2-morpholin-4-ylethyl)purine-2,6-dione

C16H24N6O4 — CID 662752

IUPAC3-methyl-8-morpholin-4-yl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
SMILESCn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CCN1CCOCC1
InChIInChI=1S/C16H24N6O4/c1-19-13-12(14(23)18-16(19)24)22(3-2-20-4-8-25-9-5-20)15(17-13)21-6-10-26-11-7-21/h2-11H2,1H3,(H,18,23,24)
InChIKeyVJDQKXZBJRVEQI-UHFFFAOYSA-N
MW364.41 g/mol
LogP-1.41
Rot. Bonds4

About 3-methyl-8-morpholin-4-yl-7-(2-morpholin-4-ylethyl)purine-2,6-dione

3-methyl-8-morpholin-4-yl-7-(2-morpholin-4-ylethyl)purine-2,6-dione (PubChem CID 662752) has the molecular formula C16H24N6O4 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-methyl-8-morpholin-4-yl-7-(2-morpholin-4-ylethyl)purine-2,6-dione.

Molecular Properties

Compound Name3-methyl-8-morpholin-4-yl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
PubChem CID662752
Molecular FormulaC16H24N6O4
Molecular Weight364.41 g/mol
Exact Mass364.19
IUPAC Name3-methyl-8-morpholin-4-yl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
SMILESCn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CCN1CCOCC1
InChIInChI=1S/C16H24N6O4/c1-19-13-12(14(23)18-16(19)24)22(3-2-20-4-8-25-9-5-20)15(17-13)21-6-10-26-11-7-21/h2-11H2,1H3,(H,18,23,24)
InChIKeyVJDQKXZBJRVEQI-UHFFFAOYSA-N
XLogP-1.41
TPSA97.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 5-1.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-morpholin-4-yl-7-(2-morpholin-4-ylethyl)purine-2,6-dione?
The IUPAC name of 3-methyl-8-morpholin-4-yl-7-(2-morpholin-4-ylethyl)purine-2,6-dione (CID 662752) is 3-methyl-8-morpholin-4-yl-7-(2-morpholin-4-ylethyl)purine-2,6-dione.
What is the SMILES notation for 3-methyl-8-morpholin-4-yl-7-(2-morpholin-4-ylethyl)purine-2,6-dione?
The canonical SMILES for 3-methyl-8-morpholin-4-yl-7-(2-morpholin-4-ylethyl)purine-2,6-dione is Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CCN1CCOCC1.
What is the InChIKey of 3-methyl-8-morpholin-4-yl-7-(2-morpholin-4-ylethyl)purine-2,6-dione?
The InChIKey is VJDQKXZBJRVEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O4/c1-19-13-12(14(23)18-16(19)24)22(3-2-20-4-8-25-9-5-20)15(17-13)21-6-10-26-11-7-21/h2-11H2,1H3,(H,18,23,24).
What are the key properties of 3-methyl-8-morpholin-4-yl-7-(2-morpholin-4-ylethyl)purine-2,6-dione?
3-methyl-8-morpholin-4-yl-7-(2-morpholin-4-ylethyl)purine-2,6-dione has a molecular weight of 364.41 g/mol, XLogP of -1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-morpholin-4-yl-7-(2-morpholin-4-ylethyl)purine-2,6-dione is sourced from PubChem (CID 662752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).