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

C13H16ClF2N3O — CID 118246371

IUPAC2-chloro-7-(4,4-difluorocyclohexyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine
SMILESCN1c2nc(Cl)ncc2OCC1C1CCC(F)(F)CC1
InChIInChI=1S/C13H16ClF2N3O/c1-19-9(8-2-4-13(15,16)5-3-8)7-20-10-6-17-12(14)18-11(10)19/h6,8-9H,2-5,7H2,1H3
InChIKeyOFMUPUMLPTUUHE-UHFFFAOYSA-N
MW303.74 g/mol
LogP3.15
Rot. Bonds1

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

2-chloro-7-(4,4-difluorocyclohexyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine (PubChem CID 118246371) has the molecular formula C13H16ClF2N3O and a molecular weight of 303.74 g/mol. Its IUPAC name is 2-chloro-7-(4,4-difluorocyclohexyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine.

Molecular Properties

Compound Name2-chloro-7-(4,4-difluorocyclohexyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine
PubChem CID118246371
Molecular FormulaC13H16ClF2N3O
Molecular Weight303.74 g/mol
Exact Mass303.09
IUPAC Name2-chloro-7-(4,4-difluorocyclohexyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine
SMILESCN1c2nc(Cl)ncc2OCC1C1CCC(F)(F)CC1
InChIInChI=1S/C13H16ClF2N3O/c1-19-9(8-2-4-13(15,16)5-3-8)7-20-10-6-17-12(14)18-11(10)19/h6,8-9H,2-5,7H2,1H3
InChIKeyOFMUPUMLPTUUHE-UHFFFAOYSA-N
XLogP3.15
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.74
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(4,4-difluorocyclohexyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The IUPAC name of 2-chloro-7-(4,4-difluorocyclohexyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine (CID 118246371) is 2-chloro-7-(4,4-difluorocyclohexyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine.
What is the SMILES notation for 2-chloro-7-(4,4-difluorocyclohexyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The canonical SMILES for 2-chloro-7-(4,4-difluorocyclohexyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine is CN1c2nc(Cl)ncc2OCC1C1CCC(F)(F)CC1.
What is the InChIKey of 2-chloro-7-(4,4-difluorocyclohexyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The InChIKey is OFMUPUMLPTUUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2N3O/c1-19-9(8-2-4-13(15,16)5-3-8)7-20-10-6-17-12(14)18-11(10)19/h6,8-9H,2-5,7H2,1H3.
What are the key properties of 2-chloro-7-(4,4-difluorocyclohexyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
2-chloro-7-(4,4-difluorocyclohexyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine has a molecular weight of 303.74 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-(4,4-difluorocyclohexyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine is sourced from PubChem (CID 118246371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).