1-(4-chlorophenyl)-6-hydroxy-5-(3-phenylpropa-1,2-dienyl)pyrimidine-2,4-dione

C19H13ClN2O3 — CID 91565094

IUPAC1-(4-chlorophenyl)-6-hydroxy-5-(3-phenylpropa-1,2-dienyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c(O)c1C=C=Cc1ccccc1
InChIInChI=1S/C19H13ClN2O3/c20-14-9-11-15(12-10-14)22-18(24)16(17(23)21-19(22)25)8-4-7-13-5-2-1-3-6-13/h1-3,5-12,24H,(H,21,23,25)
InChIKeyRFXUPAMLVVIPTK-UHFFFAOYSA-N
MW352.78 g/mol
LogP3.21
Rot. Bonds3

About 1-(4-chlorophenyl)-6-hydroxy-5-(3-phenylpropa-1,2-dienyl)pyrimidine-2,4-dione

1-(4-chlorophenyl)-6-hydroxy-5-(3-phenylpropa-1,2-dienyl)pyrimidine-2,4-dione (PubChem CID 91565094) has the molecular formula C19H13ClN2O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-hydroxy-5-(3-phenylpropa-1,2-dienyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-hydroxy-5-(3-phenylpropa-1,2-dienyl)pyrimidine-2,4-dione
PubChem CID91565094
Molecular FormulaC19H13ClN2O3
Molecular Weight352.78 g/mol
Exact Mass352.06
IUPAC Name1-(4-chlorophenyl)-6-hydroxy-5-(3-phenylpropa-1,2-dienyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c(O)c1C=C=Cc1ccccc1
InChIInChI=1S/C19H13ClN2O3/c20-14-9-11-15(12-10-14)22-18(24)16(17(23)21-19(22)25)8-4-7-13-5-2-1-3-6-13/h1-3,5-12,24H,(H,21,23,25)
InChIKeyRFXUPAMLVVIPTK-UHFFFAOYSA-N
XLogP3.21
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[6-hydroxy-2,4-dioxo-5-(3-phenylpropa-1,2-dienyl)pyrimidin-1-yl]phenyl]acetic acid
CID 91094566
1-(4-chlorophenyl)-6-hydroxy-5-[3-(2-methoxyphenyl)propa-1,2-dienyl]-2-sulfanylidenepyrimidin-4-one
CID 90833331
6-hydroxy-5-(3-phenylpropa-1,2-dienyl)-1-quinolin-5-ylpyrimidine-2,4-dione
CID 91604534
1-(4-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione
CID 135607948
1-(4-chlorophenyl)-6-hydroxy-5-[(2-methylphenyl)iminomethyl]pyrimidine-2,4-dione
CID 2844616
1-(4-chlorophenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione
CID 873272
6-hydroxy-5-[5-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]penta-1,3,4-trienyl]-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 91358217
1-(4-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598250
6-hydroxy-1-phenyl-5-[(2,4,6-trichlorophenyl)iminomethyl]pyrimidine-2,4-dione
CID 4124584
1-(4-chlorophenyl)-5-(2,2-diphenylethenyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one
CID 91020063
1-(4-chlorophenyl)-5-[(1,3-dihydroxy-2-methylpropan-2-yl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 3736130
methyl (3E)-3-[[1-(4-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]indole-2-carboxylate
CID 135571955

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-hydroxy-5-(3-phenylpropa-1,2-dienyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(4-chlorophenyl)-6-hydroxy-5-(3-phenylpropa-1,2-dienyl)pyrimidine-2,4-dione (CID 91565094) is 1-(4-chlorophenyl)-6-hydroxy-5-(3-phenylpropa-1,2-dienyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-6-hydroxy-5-(3-phenylpropa-1,2-dienyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(4-chlorophenyl)-6-hydroxy-5-(3-phenylpropa-1,2-dienyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c(O)c1C=C=Cc1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-6-hydroxy-5-(3-phenylpropa-1,2-dienyl)pyrimidine-2,4-dione?
The InChIKey is RFXUPAMLVVIPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3/c20-14-9-11-15(12-10-14)22-18(24)16(17(23)21-19(22)25)8-4-7-13-5-2-1-3-6-13/h1-3,5-12,24H,(H,21,23,25).
What are the key properties of 1-(4-chlorophenyl)-6-hydroxy-5-(3-phenylpropa-1,2-dienyl)pyrimidine-2,4-dione?
1-(4-chlorophenyl)-6-hydroxy-5-(3-phenylpropa-1,2-dienyl)pyrimidine-2,4-dione has a molecular weight of 352.78 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-hydroxy-5-(3-phenylpropa-1,2-dienyl)pyrimidine-2,4-dione is sourced from PubChem (CID 91565094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).