3-benzyl-4,8-dihydropyrimido[5,4-e][1,3]oxazine-2,7-dione

C13H11N3O3 — CID 11715839

IUPAC3-benzyl-4,8-dihydropyrimido[5,4-e][1,3]oxazine-2,7-dione
SMILESO=C1Oc2[nH]c(=O)ncc2CN1Cc1ccccc1
InChIInChI=1S/C13H11N3O3/c17-12-14-6-10-8-16(13(18)19-11(10)15-12)7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,14,15,17)
InChIKeyKVHDEISQZDLAMC-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.28
Rot. Bonds2

About 3-benzyl-4,8-dihydropyrimido[5,4-e][1,3]oxazine-2,7-dione

3-benzyl-4,8-dihydropyrimido[5,4-e][1,3]oxazine-2,7-dione (PubChem CID 11715839) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-benzyl-4,8-dihydropyrimido[5,4-e][1,3]oxazine-2,7-dione.

Molecular Properties

Compound Name3-benzyl-4,8-dihydropyrimido[5,4-e][1,3]oxazine-2,7-dione
PubChem CID11715839
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name3-benzyl-4,8-dihydropyrimido[5,4-e][1,3]oxazine-2,7-dione
SMILESO=C1Oc2[nH]c(=O)ncc2CN1Cc1ccccc1
InChIInChI=1S/C13H11N3O3/c17-12-14-6-10-8-16(13(18)19-11(10)15-12)7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,14,15,17)
InChIKeyKVHDEISQZDLAMC-UHFFFAOYSA-N
XLogP1.28
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4,8-dihydropyrimido[5,4-e][1,3]oxazine-2,7-dione?
The IUPAC name of 3-benzyl-4,8-dihydropyrimido[5,4-e][1,3]oxazine-2,7-dione (CID 11715839) is 3-benzyl-4,8-dihydropyrimido[5,4-e][1,3]oxazine-2,7-dione.
What is the SMILES notation for 3-benzyl-4,8-dihydropyrimido[5,4-e][1,3]oxazine-2,7-dione?
The canonical SMILES for 3-benzyl-4,8-dihydropyrimido[5,4-e][1,3]oxazine-2,7-dione is O=C1Oc2[nH]c(=O)ncc2CN1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4,8-dihydropyrimido[5,4-e][1,3]oxazine-2,7-dione?
The InChIKey is KVHDEISQZDLAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-12-14-6-10-8-16(13(18)19-11(10)15-12)7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,14,15,17).
What are the key properties of 3-benzyl-4,8-dihydropyrimido[5,4-e][1,3]oxazine-2,7-dione?
3-benzyl-4,8-dihydropyrimido[5,4-e][1,3]oxazine-2,7-dione has a molecular weight of 257.25 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4,8-dihydropyrimido[5,4-e][1,3]oxazine-2,7-dione is sourced from PubChem (CID 11715839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).