4-nitroso-2,6-diphenylpyrimidine

C16H11N3O — CID 582027

IUPAC4-nitroso-2,6-diphenylpyrimidine
SMILESO=Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H11N3O/c20-19-15-11-14(12-7-3-1-4-8-12)17-16(18-15)13-9-5-2-6-10-13/h1-11H
InChIKeyFYHWHJXVVXAQOE-UHFFFAOYSA-N
MW261.28 g/mol
LogP4.21
Rot. Bonds3

About 4-nitroso-2,6-diphenylpyrimidine

4-nitroso-2,6-diphenylpyrimidine (PubChem CID 582027) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-nitroso-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-nitroso-2,6-diphenylpyrimidine
PubChem CID582027
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name4-nitroso-2,6-diphenylpyrimidine
SMILESO=Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H11N3O/c20-19-15-11-14(12-7-3-1-4-8-12)17-16(18-15)13-9-5-2-6-10-13/h1-11H
InChIKeyFYHWHJXVVXAQOE-UHFFFAOYSA-N
XLogP4.21
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129099147
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 58028667
2-[4-(1,2,2,3,3-pentamethylcyclopropyl)phenyl]-4,6-diphenylpyrimidine
CID 144785231
4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline
CID 630837
4-(4,6-diphenylpyrimidin-2-yl)aniline
CID 629613
4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine
CID 175754260
N,N-diphenyl-4-[4-[4-[2-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]aniline
CID 59779628
4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 58028604
N-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 58028686

Frequently Asked Questions

What is the IUPAC name of 4-nitroso-2,6-diphenylpyrimidine?
The IUPAC name of 4-nitroso-2,6-diphenylpyrimidine (CID 582027) is 4-nitroso-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-nitroso-2,6-diphenylpyrimidine?
The canonical SMILES for 4-nitroso-2,6-diphenylpyrimidine is O=Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-nitroso-2,6-diphenylpyrimidine?
The InChIKey is FYHWHJXVVXAQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c20-19-15-11-14(12-7-3-1-4-8-12)17-16(18-15)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 4-nitroso-2,6-diphenylpyrimidine?
4-nitroso-2,6-diphenylpyrimidine has a molecular weight of 261.28 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitroso-2,6-diphenylpyrimidine is sourced from PubChem (CID 582027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).