7-(2-fluorophenyl)-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione

C13H13FN2O3 — CID 80519347

IUPAC7-(2-fluorophenyl)-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione
SMILESO=C1CC2COCCN2C(=O)N1c1ccccc1F
InChIInChI=1S/C13H13FN2O3/c14-10-3-1-2-4-11(10)16-12(17)7-9-8-19-6-5-15(9)13(16)18/h1-4,9H,5-8H2
InChIKeyKTULDLYFLHEEEG-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.38
Rot. Bonds1

About 7-(2-fluorophenyl)-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione

7-(2-fluorophenyl)-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione (PubChem CID 80519347) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 7-(2-fluorophenyl)-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione.

Molecular Properties

Compound Name7-(2-fluorophenyl)-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione
PubChem CID80519347
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name7-(2-fluorophenyl)-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione
SMILESO=C1CC2COCCN2C(=O)N1c1ccccc1F
InChIInChI=1S/C13H13FN2O3/c14-10-3-1-2-4-11(10)16-12(17)7-9-8-19-6-5-15(9)13(16)18/h1-4,9H,5-8H2
InChIKeyKTULDLYFLHEEEG-UHFFFAOYSA-N
XLogP1.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorophenyl)-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione?
The IUPAC name of 7-(2-fluorophenyl)-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione (CID 80519347) is 7-(2-fluorophenyl)-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione.
What is the SMILES notation for 7-(2-fluorophenyl)-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione?
The canonical SMILES for 7-(2-fluorophenyl)-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione is O=C1CC2COCCN2C(=O)N1c1ccccc1F.
What is the InChIKey of 7-(2-fluorophenyl)-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione?
The InChIKey is KTULDLYFLHEEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c14-10-3-1-2-4-11(10)16-12(17)7-9-8-19-6-5-15(9)13(16)18/h1-4,9H,5-8H2.
What are the key properties of 7-(2-fluorophenyl)-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione?
7-(2-fluorophenyl)-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione has a molecular weight of 264.26 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorophenyl)-3,4,9,9a-tetrahydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione is sourced from PubChem (CID 80519347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).