5-[(4E,6E)-7-[4-(dimethylamino)phenyl]hepta-1,2,4,6-tetraenyl]-6-hydroxy-1H-pyrimidine-2,4-dione

C19H19N3O3 — CID 91115731

IUPAC5-[(4E,6E)-7-[4-(dimethylamino)phenyl]hepta-1,2,4,6-tetraenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCN(C)c1ccc(/C=C/C=C/C=C=Cc2c(O)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H19N3O3/c1-22(2)15-12-10-14(11-13-15)8-6-4-3-5-7-9-16-17(23)20-19(25)21-18(16)24/h3-6,8-13H,1-2H3,(H3,20,21,23,24,25)/b4-3+,8-6+
InChIKeyYDVWKNJZCSSDKY-PBOULFJWSA-N
MW337.38 g/mol
LogP2.27
Rot. Bonds5

About 5-[(4E,6E)-7-[4-(dimethylamino)phenyl]hepta-1,2,4,6-tetraenyl]-6-hydroxy-1H-pyrimidine-2,4-dione

5-[(4E,6E)-7-[4-(dimethylamino)phenyl]hepta-1,2,4,6-tetraenyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 91115731) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-[(4E,6E)-7-[4-(dimethylamino)phenyl]hepta-1,2,4,6-tetraenyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4E,6E)-7-[4-(dimethylamino)phenyl]hepta-1,2,4,6-tetraenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID91115731
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name5-[(4E,6E)-7-[4-(dimethylamino)phenyl]hepta-1,2,4,6-tetraenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCN(C)c1ccc(/C=C/C=C/C=C=Cc2c(O)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H19N3O3/c1-22(2)15-12-10-14(11-13-15)8-6-4-3-5-7-9-16-17(23)20-19(25)21-18(16)24/h3-6,8-13H,1-2H3,(H3,20,21,23,24,25)/b4-3+,8-6+
InChIKeyYDVWKNJZCSSDKY-PBOULFJWSA-N
XLogP2.27
TPSA89.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 101097546
N,N-dimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
CID 6015156
N,N-dimethyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]aniline
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[(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-dimethylazanium
CID 134924887
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
[(2Z,4E,6E)-7-[4-(dimethylamino)phenyl]hepta-2,4,6-trienylidene]azanium
CID 143521893
[4-[(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dienyl]phenyl]boronic acid
CID 10017260
(2E,4E)-5-[4-(dimethylamino)phenyl]-N-hydroxypenta-2,4-dienamide
CID 11593830
2,5-bis[5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]cyclopentan-1-one
CID 172844935
N,N-dimethyl-4-[(1E,3E,5E)-6-(1-methylpyridin-1-ium-4-yl)hexa-1,3,5-trienyl]aniline
CID 20657517
2-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]propanedinitrile
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Frequently Asked Questions

What is the IUPAC name of 5-[(4E,6E)-7-[4-(dimethylamino)phenyl]hepta-1,2,4,6-tetraenyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(4E,6E)-7-[4-(dimethylamino)phenyl]hepta-1,2,4,6-tetraenyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 91115731) is 5-[(4E,6E)-7-[4-(dimethylamino)phenyl]hepta-1,2,4,6-tetraenyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4E,6E)-7-[4-(dimethylamino)phenyl]hepta-1,2,4,6-tetraenyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(4E,6E)-7-[4-(dimethylamino)phenyl]hepta-1,2,4,6-tetraenyl]-6-hydroxy-1H-pyrimidine-2,4-dione is CN(C)c1ccc(/C=C/C=C/C=C=Cc2c(O)[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-[(4E,6E)-7-[4-(dimethylamino)phenyl]hepta-1,2,4,6-tetraenyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is YDVWKNJZCSSDKY-PBOULFJWSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-22(2)15-12-10-14(11-13-15)8-6-4-3-5-7-9-16-17(23)20-19(25)21-18(16)24/h3-6,8-13H,1-2H3,(H3,20,21,23,24,25)/b4-3+,8-6+.
What are the key properties of 5-[(4E,6E)-7-[4-(dimethylamino)phenyl]hepta-1,2,4,6-tetraenyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[(4E,6E)-7-[4-(dimethylamino)phenyl]hepta-1,2,4,6-tetraenyl]-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 337.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4E,6E)-7-[4-(dimethylamino)phenyl]hepta-1,2,4,6-tetraenyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 91115731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).