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

C10H13N3O3 — CID 145471870

IUPAC3,6-dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione;ethane
SMILESCC.Cc1ncc2oc(=O)n(C)c(=O)c2n1
InChIInChI=1S/C8H7N3O3.C2H6/c1-4-9-3-5-6(10-4)7(12)11(2)8(13)14-5;1-2/h3H,1-2H3;1-2H3
InChIKeyOUEHPARCFKJYGW-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.62
Rot. Bonds

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

3,6-dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione;ethane (PubChem CID 145471870) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3,6-dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione;ethane.

Molecular Properties

Compound Name3,6-dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione;ethane
PubChem CID145471870
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3,6-dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione;ethane
SMILESCC.Cc1ncc2oc(=O)n(C)c(=O)c2n1
InChIInChI=1S/C8H7N3O3.C2H6/c1-4-9-3-5-6(10-4)7(12)11(2)8(13)14-5;1-2/h3H,1-2H3;1-2H3
InChIKeyOUEHPARCFKJYGW-UHFFFAOYSA-N
XLogP0.62
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.62
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;ethane?
The IUPAC name of 3,6-dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione;ethane (CID 145471870) is 3,6-dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione;ethane.
What is the SMILES notation for 3,6-dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione;ethane?
The canonical SMILES for 3,6-dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione;ethane is CC.Cc1ncc2oc(=O)n(C)c(=O)c2n1.
What is the InChIKey of 3,6-dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione;ethane?
The InChIKey is OUEHPARCFKJYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3.C2H6/c1-4-9-3-5-6(10-4)7(12)11(2)8(13)14-5;1-2/h3H,1-2H3;1-2H3.
What are the key properties of 3,6-dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione;ethane?
3,6-dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione;ethane has a molecular weight of 223.23 g/mol, XLogP of 0.62, 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;ethane is sourced from PubChem (CID 145471870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).