3,6-dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione

C8H7N3O3 — CID 67558249

IUPAC3,6-dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione
SMILESCc1ncc2oc(=O)n(C)c(=O)c2n1
InChIInChI=1S/C8H7N3O3/c1-4-9-3-5-6(10-4)7(12)11(2)8(13)14-5/h3H,1-2H3
InChIKeyFUZXXUHNIOAPJQ-UHFFFAOYSA-N
MW193.16 g/mol
LogP-0.41
Rot. Bonds

About 3,6-dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione

3,6-dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione (PubChem CID 67558249) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 3,6-dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione.

Molecular Properties

Compound Name3,6-dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione
PubChem CID67558249
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name3,6-dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione
SMILESCc1ncc2oc(=O)n(C)c(=O)c2n1
InChIInChI=1S/C8H7N3O3/c1-4-9-3-5-6(10-4)7(12)11(2)8(13)14-5/h3H,1-2H3
InChIKeyFUZXXUHNIOAPJQ-UHFFFAOYSA-N
XLogP-0.41
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione?
The IUPAC name of 3,6-dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione (CID 67558249) is 3,6-dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione.
What is the SMILES notation for 3,6-dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione?
The canonical SMILES for 3,6-dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione is Cc1ncc2oc(=O)n(C)c(=O)c2n1.
What is the InChIKey of 3,6-dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione?
The InChIKey is FUZXXUHNIOAPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-4-9-3-5-6(10-4)7(12)11(2)8(13)14-5/h3H,1-2H3.
What are the key properties of 3,6-dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione?
3,6-dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione has a molecular weight of 193.16 g/mol, XLogP of -0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione is sourced from PubChem (CID 67558249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).