2-chloro-7-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine

C7H5ClF3N3O — CID 118246309

IUPAC2-chloro-7-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine
SMILESFC(F)(F)C1COc2cnc(Cl)nc2N1
InChIInChI=1S/C7H5ClF3N3O/c8-6-12-1-3-5(14-6)13-4(2-15-3)7(9,10)11/h1,4H,2H2,(H,12,13,14)
InChIKeyBVIVQANDNUMRRM-UHFFFAOYSA-N
MW239.58 g/mol
LogP1.87
Rot. Bonds

About 2-chloro-7-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine

2-chloro-7-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine (PubChem CID 118246309) has the molecular formula C7H5ClF3N3O and a molecular weight of 239.58 g/mol. Its IUPAC name is 2-chloro-7-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine.

Molecular Properties

Compound Name2-chloro-7-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine
PubChem CID118246309
Molecular FormulaC7H5ClF3N3O
Molecular Weight239.58 g/mol
Exact Mass239.01
IUPAC Name2-chloro-7-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine
SMILESFC(F)(F)C1COc2cnc(Cl)nc2N1
InChIInChI=1S/C7H5ClF3N3O/c8-6-12-1-3-5(14-6)13-4(2-15-3)7(9,10)11/h1,4H,2H2,(H,12,13,14)
InChIKeyBVIVQANDNUMRRM-UHFFFAOYSA-N
XLogP1.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.58
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine?
The IUPAC name of 2-chloro-7-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine (CID 118246309) is 2-chloro-7-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine.
What is the SMILES notation for 2-chloro-7-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine?
The canonical SMILES for 2-chloro-7-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine is FC(F)(F)C1COc2cnc(Cl)nc2N1.
What is the InChIKey of 2-chloro-7-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine?
The InChIKey is BVIVQANDNUMRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3N3O/c8-6-12-1-3-5(14-6)13-4(2-15-3)7(9,10)11/h1,4H,2H2,(H,12,13,14).
What are the key properties of 2-chloro-7-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine?
2-chloro-7-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine has a molecular weight of 239.58 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine is sourced from PubChem (CID 118246309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).