2,6-dimethyl-4H-[1,3]oxazolo[4,5-d]pyrimidine-5,7-dione

C7H7N3O3 — CID 170981411

IUPAC2,6-dimethyl-4H-[1,3]oxazolo[4,5-d]pyrimidine-5,7-dione
SMILESCc1nc2[nH]c(=O)n(C)c(=O)c2o1
InChIInChI=1S/C7H7N3O3/c1-3-8-5-4(13-3)6(11)10(2)7(12)9-5/h1-2H3,(H,9,12)
InChIKeyBABZFCAVWCSCFN-UHFFFAOYSA-N
MW181.15 g/mol
LogP-0.48
Rot. Bonds

About 2,6-dimethyl-4H-[1,3]oxazolo[4,5-d]pyrimidine-5,7-dione

2,6-dimethyl-4H-[1,3]oxazolo[4,5-d]pyrimidine-5,7-dione (PubChem CID 170981411) has the molecular formula C7H7N3O3 and a molecular weight of 181.15 g/mol. Its IUPAC name is 2,6-dimethyl-4H-[1,3]oxazolo[4,5-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name2,6-dimethyl-4H-[1,3]oxazolo[4,5-d]pyrimidine-5,7-dione
PubChem CID170981411
Molecular FormulaC7H7N3O3
Molecular Weight181.15 g/mol
Exact Mass181.05
IUPAC Name2,6-dimethyl-4H-[1,3]oxazolo[4,5-d]pyrimidine-5,7-dione
SMILESCc1nc2[nH]c(=O)n(C)c(=O)c2o1
InChIInChI=1S/C7H7N3O3/c1-3-8-5-4(13-3)6(11)10(2)7(12)9-5/h1-2H3,(H,9,12)
InChIKeyBABZFCAVWCSCFN-UHFFFAOYSA-N
XLogP-0.48
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4H-[1,3]oxazolo[4,5-d]pyrimidine-5,7-dione?
The IUPAC name of 2,6-dimethyl-4H-[1,3]oxazolo[4,5-d]pyrimidine-5,7-dione (CID 170981411) is 2,6-dimethyl-4H-[1,3]oxazolo[4,5-d]pyrimidine-5,7-dione.
What is the SMILES notation for 2,6-dimethyl-4H-[1,3]oxazolo[4,5-d]pyrimidine-5,7-dione?
The canonical SMILES for 2,6-dimethyl-4H-[1,3]oxazolo[4,5-d]pyrimidine-5,7-dione is Cc1nc2[nH]c(=O)n(C)c(=O)c2o1.
What is the InChIKey of 2,6-dimethyl-4H-[1,3]oxazolo[4,5-d]pyrimidine-5,7-dione?
The InChIKey is BABZFCAVWCSCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3/c1-3-8-5-4(13-3)6(11)10(2)7(12)9-5/h1-2H3,(H,9,12).
What are the key properties of 2,6-dimethyl-4H-[1,3]oxazolo[4,5-d]pyrimidine-5,7-dione?
2,6-dimethyl-4H-[1,3]oxazolo[4,5-d]pyrimidine-5,7-dione has a molecular weight of 181.15 g/mol, XLogP of -0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4H-[1,3]oxazolo[4,5-d]pyrimidine-5,7-dione is sourced from PubChem (CID 170981411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).