3,6-di(propan-2-yl)pyrimido[4,5-e][1,3]oxazine-2,4-dione

C12H15N3O3 — CID 58748023

IUPAC3,6-di(propan-2-yl)pyrimido[4,5-e][1,3]oxazine-2,4-dione
SMILESCC(C)c1ncc2oc(=O)n(C(C)C)c(=O)c2n1
InChIInChI=1S/C12H15N3O3/c1-6(2)10-13-5-8-9(14-10)11(16)15(7(3)4)12(17)18-8/h5-7H,1-4H3
InChIKeyQLQOMQCNFDGAOY-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.45
Rot. Bonds2

About 3,6-di(propan-2-yl)pyrimido[4,5-e][1,3]oxazine-2,4-dione

3,6-di(propan-2-yl)pyrimido[4,5-e][1,3]oxazine-2,4-dione (PubChem CID 58748023) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3,6-di(propan-2-yl)pyrimido[4,5-e][1,3]oxazine-2,4-dione.

Molecular Properties

Compound Name3,6-di(propan-2-yl)pyrimido[4,5-e][1,3]oxazine-2,4-dione
PubChem CID58748023
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name3,6-di(propan-2-yl)pyrimido[4,5-e][1,3]oxazine-2,4-dione
SMILESCC(C)c1ncc2oc(=O)n(C(C)C)c(=O)c2n1
InChIInChI=1S/C12H15N3O3/c1-6(2)10-13-5-8-9(14-10)11(16)15(7(3)4)12(17)18-8/h5-7H,1-4H3
InChIKeyQLQOMQCNFDGAOY-UHFFFAOYSA-N
XLogP1.45
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-di(propan-2-yl)pyrimido[4,5-e][1,3]oxazine-2,4-dione?
The IUPAC name of 3,6-di(propan-2-yl)pyrimido[4,5-e][1,3]oxazine-2,4-dione (CID 58748023) is 3,6-di(propan-2-yl)pyrimido[4,5-e][1,3]oxazine-2,4-dione.
What is the SMILES notation for 3,6-di(propan-2-yl)pyrimido[4,5-e][1,3]oxazine-2,4-dione?
The canonical SMILES for 3,6-di(propan-2-yl)pyrimido[4,5-e][1,3]oxazine-2,4-dione is CC(C)c1ncc2oc(=O)n(C(C)C)c(=O)c2n1.
What is the InChIKey of 3,6-di(propan-2-yl)pyrimido[4,5-e][1,3]oxazine-2,4-dione?
The InChIKey is QLQOMQCNFDGAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-6(2)10-13-5-8-9(14-10)11(16)15(7(3)4)12(17)18-8/h5-7H,1-4H3.
What are the key properties of 3,6-di(propan-2-yl)pyrimido[4,5-e][1,3]oxazine-2,4-dione?
3,6-di(propan-2-yl)pyrimido[4,5-e][1,3]oxazine-2,4-dione has a molecular weight of 249.27 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(propan-2-yl)pyrimido[4,5-e][1,3]oxazine-2,4-dione is sourced from PubChem (CID 58748023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).