4,6-bis(2-phenylethenyl)-1H-pyrimidin-2-one

C20H16N2O — CID 2959542

IUPAC4,6-bis(2-phenylethenyl)-1H-pyrimidin-2-one
SMILESO=c1nc(C=Cc2ccccc2)cc(C=Cc2ccccc2)[nH]1
InChIInChI=1S/C20H16N2O/c23-20-21-18(13-11-16-7-3-1-4-8-16)15-19(22-20)14-12-17-9-5-2-6-10-17/h1-15H,(H,21,22,23)
InChIKeyDSXROUDEXNCKGZ-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.11
Rot. Bonds4

About 4,6-bis(2-phenylethenyl)-1H-pyrimidin-2-one

4,6-bis(2-phenylethenyl)-1H-pyrimidin-2-one (PubChem CID 2959542) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 4,6-bis(2-phenylethenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4,6-bis(2-phenylethenyl)-1H-pyrimidin-2-one
PubChem CID2959542
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name4,6-bis(2-phenylethenyl)-1H-pyrimidin-2-one
SMILESO=c1nc(C=Cc2ccccc2)cc(C=Cc2ccccc2)[nH]1
InChIInChI=1S/C20H16N2O/c23-20-21-18(13-11-16-7-3-1-4-8-16)15-19(22-20)14-12-17-9-5-2-6-10-17/h1-15H,(H,21,22,23)
InChIKeyDSXROUDEXNCKGZ-UHFFFAOYSA-N
XLogP4.11
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(E)-2-(4-hydroxyphenyl)ethenyl]-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one
CID 136809878
4-phenyl-6-[(E)-2-phenylethenyl]-1H-pyrimidin-2-one
CID 22929240
6-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]-4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-1H-pyrimidin-2-one
CID 92971867
2-amino-4-(2-phenylethenyl)-1H-pyrimidin-6-one
CID 137217157
[4-[(E)-2-[4-[(E)-2-[4-[hydroxy-[(2-nitrophenyl)methoxy]phosphoryl]phenyl]ethenyl]-2-oxo-1H-pyrimidin-6-yl]ethenyl]phenyl]-[(2-nitrophenyl)methoxy]phosphinic acid
CID 102290868
6-(2-phenylethenyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 138857506
2,5-bis[(E)-2-phenylethenyl]-1H-pyrrole
CID 102597288
2-methyl-5-(2-phenylethenyl)-1H-imidazole
CID 175264708
2,4-diphenyl-6-(2-phenylethenyl)pyridine
CID 3299045
2,4-diphenyl-6-[(E)-2-phenylethenyl]pyrimidine
CID 7114809
7-[(E)-2-phenylethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 13188210
6-(2-phenylethenoxy)-1H-1,3,5-triazine-2,4-dione
CID 70395862

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(2-phenylethenyl)-1H-pyrimidin-2-one?
The IUPAC name of 4,6-bis(2-phenylethenyl)-1H-pyrimidin-2-one (CID 2959542) is 4,6-bis(2-phenylethenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4,6-bis(2-phenylethenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4,6-bis(2-phenylethenyl)-1H-pyrimidin-2-one is O=c1nc(C=Cc2ccccc2)cc(C=Cc2ccccc2)[nH]1.
What is the InChIKey of 4,6-bis(2-phenylethenyl)-1H-pyrimidin-2-one?
The InChIKey is DSXROUDEXNCKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c23-20-21-18(13-11-16-7-3-1-4-8-16)15-19(22-20)14-12-17-9-5-2-6-10-17/h1-15H,(H,21,22,23).
What are the key properties of 4,6-bis(2-phenylethenyl)-1H-pyrimidin-2-one?
4,6-bis(2-phenylethenyl)-1H-pyrimidin-2-one has a molecular weight of 300.36 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(2-phenylethenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 2959542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).