6-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]-4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-1H-pyrimidin-2-one

C26H28N2O — CID 92971867

IUPAC6-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]-4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-1H-pyrimidin-2-one
SMILESCC(C)c1ccc(/C=C\c2cc(/C=C/c3ccc(C(C)C)cc3)nc(=O)[nH]2)cc1
InChIInChI=1S/C26H28N2O/c1-18(2)22-11-5-20(6-12-22)9-15-24-17-25(28-26(29)27-24)16-10-21-7-13-23(14-8-21)19(3)4/h5-19H,1-4H3,(H,27,28,29)/b15-9-,16-10+
InChIKeyALSAWSSYDJCMEI-CKOAPEAFSA-N
MW384.52 g/mol
LogP6.36
Rot. Bonds6

About 6-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]-4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-1H-pyrimidin-2-one

6-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]-4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-1H-pyrimidin-2-one (PubChem CID 92971867) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 6-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]-4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]-4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-1H-pyrimidin-2-one
PubChem CID92971867
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name6-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]-4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-1H-pyrimidin-2-one
SMILESCC(C)c1ccc(/C=C\c2cc(/C=C/c3ccc(C(C)C)cc3)nc(=O)[nH]2)cc1
InChIInChI=1S/C26H28N2O/c1-18(2)22-11-5-20(6-12-22)9-15-24-17-25(28-26(29)27-24)16-10-21-7-13-23(14-8-21)19(3)4/h5-19H,1-4H3,(H,27,28,29)/b15-9-,16-10+
InChIKeyALSAWSSYDJCMEI-CKOAPEAFSA-N
XLogP6.36
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-bis(2-phenylethenyl)-1H-pyrimidin-2-one
CID 2959542
4-[2-(4-chlorophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 135530342
4-phenyl-6-[(E)-2-phenylethenyl]-1H-pyrimidin-2-one
CID 22929240
1-(2-phenylethenyl)-4-propan-2-ylbenzene
CID 53397765
4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]phenol
CID 122603280
[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
4-hydroxy-5-nitro-2-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]-1H-pyrimidin-6-one
CID 92929386
N,N-bis(4-propan-2-ylphenyl)-4-[(E)-2-[4-[(E)-2-[4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 22900193
(E)-2-(4-propan-2-ylphenyl)ethenesulfonamide
CID 22750924
2-cyclopropyl-4-[2-[4-(difluoromethyl)phenyl]ethenyl]-1H-pyrimidin-6-one
CID 136542667
1-methyl-4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]pyridin-1-ium
CID 129309736
4-[(E)-2-[3,5-bis[(E)-2-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline
CID 58596504

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]-4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]-4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-1H-pyrimidin-2-one (CID 92971867) is 6-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]-4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]-4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]-4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-1H-pyrimidin-2-one is CC(C)c1ccc(/C=C\c2cc(/C=C/c3ccc(C(C)C)cc3)nc(=O)[nH]2)cc1.
What is the InChIKey of 6-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]-4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-1H-pyrimidin-2-one?
The InChIKey is ALSAWSSYDJCMEI-CKOAPEAFSA-N. The full InChI is InChI=1S/C26H28N2O/c1-18(2)22-11-5-20(6-12-22)9-15-24-17-25(28-26(29)27-24)16-10-21-7-13-23(14-8-21)19(3)4/h5-19H,1-4H3,(H,27,28,29)/b15-9-,16-10+.
What are the key properties of 6-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]-4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-1H-pyrimidin-2-one?
6-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]-4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-1H-pyrimidin-2-one has a molecular weight of 384.52 g/mol, XLogP of 6.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]-4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 92971867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).