7-tert-butyl-2-(2-methoxyethyl)-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione

C15H20N4O4 — CID 18580439

IUPAC7-tert-butyl-2-(2-methoxyethyl)-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione
SMILESCOCCn1c(=O)c2c(nc3oc(C(C)(C)C)cn32)n(C)c1=O
InChIInChI=1S/C15H20N4O4/c1-15(2,3)9-8-19-10-11(16-13(19)23-9)17(4)14(21)18(12(10)20)6-7-22-5/h8H,6-7H2,1-5H3
InChIKeyDHMRRQCWYWSOAH-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.88
Rot. Bonds3

About 7-tert-butyl-2-(2-methoxyethyl)-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione

7-tert-butyl-2-(2-methoxyethyl)-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione (PubChem CID 18580439) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 7-tert-butyl-2-(2-methoxyethyl)-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione.

Molecular Properties

Compound Name7-tert-butyl-2-(2-methoxyethyl)-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione
PubChem CID18580439
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name7-tert-butyl-2-(2-methoxyethyl)-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione
SMILESCOCCn1c(=O)c2c(nc3oc(C(C)(C)C)cn32)n(C)c1=O
InChIInChI=1S/C15H20N4O4/c1-15(2,3)9-8-19-10-11(16-13(19)23-9)17(4)14(21)18(12(10)20)6-7-22-5/h8H,6-7H2,1-5H3
InChIKeyDHMRRQCWYWSOAH-UHFFFAOYSA-N
XLogP0.88
TPSA83.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-(2-methoxyethyl)-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione?
The IUPAC name of 7-tert-butyl-2-(2-methoxyethyl)-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione (CID 18580439) is 7-tert-butyl-2-(2-methoxyethyl)-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione.
What is the SMILES notation for 7-tert-butyl-2-(2-methoxyethyl)-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione?
The canonical SMILES for 7-tert-butyl-2-(2-methoxyethyl)-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione is COCCn1c(=O)c2c(nc3oc(C(C)(C)C)cn32)n(C)c1=O.
What is the InChIKey of 7-tert-butyl-2-(2-methoxyethyl)-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione?
The InChIKey is DHMRRQCWYWSOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-15(2,3)9-8-19-10-11(16-13(19)23-9)17(4)14(21)18(12(10)20)6-7-22-5/h8H,6-7H2,1-5H3.
What are the key properties of 7-tert-butyl-2-(2-methoxyethyl)-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione?
7-tert-butyl-2-(2-methoxyethyl)-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione has a molecular weight of 320.35 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-(2-methoxyethyl)-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione is sourced from PubChem (CID 18580439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).