2-chloro-8-[4-chloro-2-(trifluoromethoxy)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine

C13H8Cl2F3N3O2 — CID 118055056

IUPAC2-chloro-8-[4-chloro-2-(trifluoromethoxy)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine
SMILESFC(F)(F)Oc1cc(Cl)ccc1N1CCOc2cnc(Cl)nc21
InChIInChI=1S/C13H8Cl2F3N3O2/c14-7-1-2-8(9(5-7)23-13(16,17)18)21-3-4-22-10-6-19-12(15)20-11(10)21/h1-2,5-6H,3-4H2
InChIKeyOCFKYMZQUCRAGH-UHFFFAOYSA-N
MW366.13 g/mol
LogP4.21
Rot. Bonds2

About 2-chloro-8-[4-chloro-2-(trifluoromethoxy)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine

2-chloro-8-[4-chloro-2-(trifluoromethoxy)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine (PubChem CID 118055056) has the molecular formula C13H8Cl2F3N3O2 and a molecular weight of 366.13 g/mol. Its IUPAC name is 2-chloro-8-[4-chloro-2-(trifluoromethoxy)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine.

Molecular Properties

Compound Name2-chloro-8-[4-chloro-2-(trifluoromethoxy)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine
PubChem CID118055056
Molecular FormulaC13H8Cl2F3N3O2
Molecular Weight366.13 g/mol
Exact Mass364.99
IUPAC Name2-chloro-8-[4-chloro-2-(trifluoromethoxy)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine
SMILESFC(F)(F)Oc1cc(Cl)ccc1N1CCOc2cnc(Cl)nc21
InChIInChI=1S/C13H8Cl2F3N3O2/c14-7-1-2-8(9(5-7)23-13(16,17)18)21-3-4-22-10-6-19-12(15)20-11(10)21/h1-2,5-6H,3-4H2
InChIKeyOCFKYMZQUCRAGH-UHFFFAOYSA-N
XLogP4.21
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.13
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-[4-chloro-2-(trifluoromethoxy)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The IUPAC name of 2-chloro-8-[4-chloro-2-(trifluoromethoxy)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine (CID 118055056) is 2-chloro-8-[4-chloro-2-(trifluoromethoxy)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine.
What is the SMILES notation for 2-chloro-8-[4-chloro-2-(trifluoromethoxy)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The canonical SMILES for 2-chloro-8-[4-chloro-2-(trifluoromethoxy)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine is FC(F)(F)Oc1cc(Cl)ccc1N1CCOc2cnc(Cl)nc21.
What is the InChIKey of 2-chloro-8-[4-chloro-2-(trifluoromethoxy)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The InChIKey is OCFKYMZQUCRAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3N3O2/c14-7-1-2-8(9(5-7)23-13(16,17)18)21-3-4-22-10-6-19-12(15)20-11(10)21/h1-2,5-6H,3-4H2.
What are the key properties of 2-chloro-8-[4-chloro-2-(trifluoromethoxy)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
2-chloro-8-[4-chloro-2-(trifluoromethoxy)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine has a molecular weight of 366.13 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-[4-chloro-2-(trifluoromethoxy)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine is sourced from PubChem (CID 118055056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).