1-(2,6-dimethylphenyl)-4,6-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrimidin-2-one

C30H28N2O5 — CID 155809153

IUPAC1-(2,6-dimethylphenyl)-4,6-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrimidin-2-one
SMILESCOc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n(-c3c(C)cccc3C)c(=O)n2)ccc1O
InChIInChI=1S/C30H28N2O5/c1-19-6-5-7-20(2)29(19)32-24(13-9-22-11-15-26(34)28(17-22)37-4)18-23(31-30(32)35)12-8-21-10-14-25(33)27(16-21)36-3/h5-18,33-34H,1-4H3/b12-8+,13-9+
InChIKeyNARPRUPTBPRBMS-QHKWOANTSA-N
MW496.56 g/mol
LogP5.62
Rot. Bonds7

About 1-(2,6-dimethylphenyl)-4,6-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrimidin-2-one

1-(2,6-dimethylphenyl)-4,6-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrimidin-2-one (PubChem CID 155809153) has the molecular formula C30H28N2O5 and a molecular weight of 496.56 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-4,6-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-4,6-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrimidin-2-one
PubChem CID155809153
Molecular FormulaC30H28N2O5
Molecular Weight496.56 g/mol
Exact Mass496.20
IUPAC Name1-(2,6-dimethylphenyl)-4,6-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrimidin-2-one
SMILESCOc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n(-c3c(C)cccc3C)c(=O)n2)ccc1O
InChIInChI=1S/C30H28N2O5/c1-19-6-5-7-20(2)29(19)32-24(13-9-22-11-15-26(34)28(17-22)37-4)18-23(31-30(32)35)12-8-21-10-14-25(33)27(16-21)36-3/h5-18,33-34H,1-4H3/b12-8+,13-9+
InChIKeyNARPRUPTBPRBMS-QHKWOANTSA-N
XLogP5.62
TPSA93.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.56
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide
CID 137228772
3,5-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide
CID 135857202
4-[(E)-2-[1-(2-fluorophenyl)-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol
CID 137158246
[3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-1-yl]-pyridin-4-ylmethanone
CID 137228757
3-(2,6-dichlorophenyl)-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one
CID 135436867
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-(2-nitrophenyl)pyrazol-5-yl]ethenyl]-2-methoxyphenol
CID 143764470
methyl 4-[3,5-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-1-yl]benzoate
CID 162665812
4-[(E)-2-[1-(4,5-dihydro-1H-imidazol-2-yl)-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol
CID 136505153
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
2-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 3749691
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 9448318

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-4,6-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrimidin-2-one?
The IUPAC name of 1-(2,6-dimethylphenyl)-4,6-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrimidin-2-one (CID 155809153) is 1-(2,6-dimethylphenyl)-4,6-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrimidin-2-one.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-4,6-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrimidin-2-one?
The canonical SMILES for 1-(2,6-dimethylphenyl)-4,6-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrimidin-2-one is COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n(-c3c(C)cccc3C)c(=O)n2)ccc1O.
What is the InChIKey of 1-(2,6-dimethylphenyl)-4,6-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrimidin-2-one?
The InChIKey is NARPRUPTBPRBMS-QHKWOANTSA-N. The full InChI is InChI=1S/C30H28N2O5/c1-19-6-5-7-20(2)29(19)32-24(13-9-22-11-15-26(34)28(17-22)37-4)18-23(31-30(32)35)12-8-21-10-14-25(33)27(16-21)36-3/h5-18,33-34H,1-4H3/b12-8+,13-9+.
What are the key properties of 1-(2,6-dimethylphenyl)-4,6-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrimidin-2-one?
1-(2,6-dimethylphenyl)-4,6-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrimidin-2-one has a molecular weight of 496.56 g/mol, XLogP of 5.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-4,6-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrimidin-2-one is sourced from PubChem (CID 155809153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).