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

C9H9ClF3N3O — CID 118246171

IUPAC2-chloro-8-methyl-7-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine
SMILESCN1c2nc(Cl)ncc2OCC1CC(F)(F)F
InChIInChI=1S/C9H9ClF3N3O/c1-16-5(2-9(11,12)13)4-17-6-3-14-8(10)15-7(6)16/h3,5H,2,4H2,1H3
InChIKeyQRNNODNQLVLQQI-UHFFFAOYSA-N
MW267.64 g/mol
LogP2.28
Rot. Bonds1

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

2-chloro-8-methyl-7-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine (PubChem CID 118246171) has the molecular formula C9H9ClF3N3O and a molecular weight of 267.64 g/mol. Its IUPAC name is 2-chloro-8-methyl-7-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine.

Molecular Properties

Compound Name2-chloro-8-methyl-7-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine
PubChem CID118246171
Molecular FormulaC9H9ClF3N3O
Molecular Weight267.64 g/mol
Exact Mass267.04
IUPAC Name2-chloro-8-methyl-7-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine
SMILESCN1c2nc(Cl)ncc2OCC1CC(F)(F)F
InChIInChI=1S/C9H9ClF3N3O/c1-16-5(2-9(11,12)13)4-17-6-3-14-8(10)15-7(6)16/h3,5H,2,4H2,1H3
InChIKeyQRNNODNQLVLQQI-UHFFFAOYSA-N
XLogP2.28
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.64
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-methyl-7-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The IUPAC name of 2-chloro-8-methyl-7-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine (CID 118246171) is 2-chloro-8-methyl-7-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine.
What is the SMILES notation for 2-chloro-8-methyl-7-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The canonical SMILES for 2-chloro-8-methyl-7-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine is CN1c2nc(Cl)ncc2OCC1CC(F)(F)F.
What is the InChIKey of 2-chloro-8-methyl-7-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The InChIKey is QRNNODNQLVLQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3O/c1-16-5(2-9(11,12)13)4-17-6-3-14-8(10)15-7(6)16/h3,5H,2,4H2,1H3.
What are the key properties of 2-chloro-8-methyl-7-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
2-chloro-8-methyl-7-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine has a molecular weight of 267.64 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-methyl-7-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine is sourced from PubChem (CID 118246171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).