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

C12H18N6O3 — CID 66485145

IUPAC8-amino-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
SMILESCn1c(=O)[nH]c(=O)c2c1nc(N)n2CCN1CCOCC1
InChIInChI=1S/C12H18N6O3/c1-16-9-8(10(19)15-12(16)20)18(11(13)14-9)3-2-17-4-6-21-7-5-17/h2-7H2,1H3,(H2,13,14)(H,15,19,20)
InChIKeyONLFEODDTLRUAH-UHFFFAOYSA-N
MW294.31 g/mol
LogP-1.66
Rot. Bonds3

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

8-amino-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione (PubChem CID 66485145) has the molecular formula C12H18N6O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 8-amino-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione.

Molecular Properties

Compound Name8-amino-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
PubChem CID66485145
Molecular FormulaC12H18N6O3
Molecular Weight294.31 g/mol
Exact Mass294.14
IUPAC Name8-amino-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
SMILESCn1c(=O)[nH]c(=O)c2c1nc(N)n2CCN1CCOCC1
InChIInChI=1S/C12H18N6O3/c1-16-9-8(10(19)15-12(16)20)18(11(13)14-9)3-2-17-4-6-21-7-5-17/h2-7H2,1H3,(H2,13,14)(H,15,19,20)
InChIKeyONLFEODDTLRUAH-UHFFFAOYSA-N
XLogP-1.66
TPSA111.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-amino-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione?
The IUPAC name of 8-amino-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione (CID 66485145) is 8-amino-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione.
What is the SMILES notation for 8-amino-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione?
The canonical SMILES for 8-amino-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione is Cn1c(=O)[nH]c(=O)c2c1nc(N)n2CCN1CCOCC1.
What is the InChIKey of 8-amino-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione?
The InChIKey is ONLFEODDTLRUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O3/c1-16-9-8(10(19)15-12(16)20)18(11(13)14-9)3-2-17-4-6-21-7-5-17/h2-7H2,1H3,(H2,13,14)(H,15,19,20).
What are the key properties of 8-amino-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione?
8-amino-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione has a molecular weight of 294.31 g/mol, XLogP of -1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione is sourced from PubChem (CID 66485145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).