10-(2-tert-butylpyrimidin-5-yl)phenoxazine

C20H19N3O — CID 164940851

IUPAC10-(2-tert-butylpyrimidin-5-yl)phenoxazine
SMILESCC(C)(C)c1ncc(N2c3ccccc3Oc3ccccc32)cn1
InChIInChI=1S/C20H19N3O/c1-20(2,3)19-21-12-14(13-22-19)23-15-8-4-6-10-17(15)24-18-11-7-5-9-16(18)23/h4-13H,1-3H3
InChIKeyBSDVCGLGGXNBPV-UHFFFAOYSA-N
MW317.39 g/mol
LogP5.35
Rot. Bonds1

About 10-(2-tert-butylpyrimidin-5-yl)phenoxazine

10-(2-tert-butylpyrimidin-5-yl)phenoxazine (PubChem CID 164940851) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 10-(2-tert-butylpyrimidin-5-yl)phenoxazine.

Molecular Properties

Compound Name10-(2-tert-butylpyrimidin-5-yl)phenoxazine
PubChem CID164940851
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name10-(2-tert-butylpyrimidin-5-yl)phenoxazine
SMILESCC(C)(C)c1ncc(N2c3ccccc3Oc3ccccc32)cn1
InChIInChI=1S/C20H19N3O/c1-20(2,3)19-21-12-14(13-22-19)23-15-8-4-6-10-17(15)24-18-11-7-5-9-16(18)23/h4-13H,1-3H3
InChIKeyBSDVCGLGGXNBPV-UHFFFAOYSA-N
XLogP5.35
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;10-phenylphenoxazine
CID 123756019
10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine
CID 129073049
10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine
CID 145413452
10-(4-fluorophenyl)phenoxazine
CID 141389969
10-[3,5-di(pyrimidin-2-yl)phenyl]phenoxazine
CID 58251203
10-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenoxazine
CID 159381502
10-(8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenoxazine
CID 130353987
10-[3,5-di(pyrimidin-5-yl)phenyl]phenoxazine
CID 58251220
10-[7-[10-(4-tert-butylphenyl)phenazin-5-yl]-9,9-dimethylfluoren-2-yl]phenoxazine
CID 168782831
10-(9-methyl-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine
CID 122608600
10-[4-[2,8-ditert-butyl-6-(4-phenoxazin-10-ylphenyl)dibenzothiophen-4-yl]phenyl]phenoxazine
CID 139312039
10-[4-[3-(4-phenoxazin-10-ylphenyl)pyrazino[2,3-b]pyrazin-2-yl]phenyl]phenoxazine
CID 129037655

Frequently Asked Questions

What is the IUPAC name of 10-(2-tert-butylpyrimidin-5-yl)phenoxazine?
The IUPAC name of 10-(2-tert-butylpyrimidin-5-yl)phenoxazine (CID 164940851) is 10-(2-tert-butylpyrimidin-5-yl)phenoxazine.
What is the SMILES notation for 10-(2-tert-butylpyrimidin-5-yl)phenoxazine?
The canonical SMILES for 10-(2-tert-butylpyrimidin-5-yl)phenoxazine is CC(C)(C)c1ncc(N2c3ccccc3Oc3ccccc32)cn1.
What is the InChIKey of 10-(2-tert-butylpyrimidin-5-yl)phenoxazine?
The InChIKey is BSDVCGLGGXNBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-20(2,3)19-21-12-14(13-22-19)23-15-8-4-6-10-17(15)24-18-11-7-5-9-16(18)23/h4-13H,1-3H3.
What are the key properties of 10-(2-tert-butylpyrimidin-5-yl)phenoxazine?
10-(2-tert-butylpyrimidin-5-yl)phenoxazine has a molecular weight of 317.39 g/mol, XLogP of 5.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-tert-butylpyrimidin-5-yl)phenoxazine is sourced from PubChem (CID 164940851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).