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

C8H7ClF3N3O — CID 118054988

IUPAC2-chloro-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine
SMILESFC(F)(F)CN1CCOc2cnc(Cl)nc21
InChIInChI=1S/C8H7ClF3N3O/c9-7-13-3-5-6(14-7)15(1-2-16-5)4-8(10,11)12/h3H,1-2,4H2
InChIKeyXIXLYMCLRKSAST-UHFFFAOYSA-N
MW253.61 g/mol
LogP1.89
Rot. Bonds1

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

2-chloro-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine (PubChem CID 118054988) has the molecular formula C8H7ClF3N3O and a molecular weight of 253.61 g/mol. Its IUPAC name is 2-chloro-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine.

Molecular Properties

Compound Name2-chloro-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine
PubChem CID118054988
Molecular FormulaC8H7ClF3N3O
Molecular Weight253.61 g/mol
Exact Mass253.02
IUPAC Name2-chloro-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine
SMILESFC(F)(F)CN1CCOc2cnc(Cl)nc21
InChIInChI=1S/C8H7ClF3N3O/c9-7-13-3-5-6(14-7)15(1-2-16-5)4-8(10,11)12/h3H,1-2,4H2
InChIKeyXIXLYMCLRKSAST-UHFFFAOYSA-N
XLogP1.89
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The IUPAC name of 2-chloro-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine (CID 118054988) is 2-chloro-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine.
What is the SMILES notation for 2-chloro-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The canonical SMILES for 2-chloro-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine is FC(F)(F)CN1CCOc2cnc(Cl)nc21.
What is the InChIKey of 2-chloro-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The InChIKey is XIXLYMCLRKSAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N3O/c9-7-13-3-5-6(14-7)15(1-2-16-5)4-8(10,11)12/h3H,1-2,4H2.
What are the key properties of 2-chloro-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
2-chloro-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine has a molecular weight of 253.61 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine is sourced from PubChem (CID 118054988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).