6-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione

C23H21N3O3 — CID 135420645

IUPAC6-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione
SMILESCC1=Nc2ccccc2/C1=C\c1c(O)n(-c2c(C)cc(C)cc2C)c(=O)[nH]c1=O
InChIInChI=1S/C23H21N3O3/c1-12-9-13(2)20(14(3)10-12)26-22(28)18(21(27)25-23(26)29)11-17-15(4)24-19-8-6-5-7-16(17)19/h5-11,28H,1-4H3,(H,25,27,29)/b17-11-
InChIKeyVKTSPVAMWXSYKO-BOPFTXTBSA-N
MW387.44 g/mol
LogP3.80
Rot. Bonds2

About 6-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione

6-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione (PubChem CID 135420645) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 6-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione
PubChem CID135420645
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name6-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione
SMILESCC1=Nc2ccccc2/C1=C\c1c(O)n(-c2c(C)cc(C)cc2C)c(=O)[nH]c1=O
InChIInChI=1S/C23H21N3O3/c1-12-9-13(2)20(14(3)10-12)26-22(28)18(21(27)25-23(26)29)11-17-15(4)24-19-8-6-5-7-16(17)19/h5-11,28H,1-4H3,(H,25,27,29)/b17-11-
InChIKeyVKTSPVAMWXSYKO-BOPFTXTBSA-N
XLogP3.80
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-yl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione
CID 1142765
1-(1,3-benzodioxol-5-yl)-6-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione
CID 135467576
1-(3-chlorophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-2-sulfanylidenepyrimidin-4-one
CID 1318597
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione
CID 1311695
5-[(Z)-(5-bromo-2-methylindol-3-ylidene)methyl]-6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one
CID 135490176
2-(4-chlorophenyl)-3-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1H-pyrazol-5-one
CID 4159377
1-(3-chlorophenyl)-6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione
CID 135884674
5-(ethyliminomethyl)-6-hydroxy-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione
CID 2840209
1-(3,4-dimethylphenyl)-6-hydroxy-5-[(2-phenylindol-3-ylidene)methyl]-2-sulfanylidenepyrimidin-4-one
CID 2034701
6-hydroxy-1-(2-methoxyphenyl)-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione
CID 135884677
methyl (3E)-3-[[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylidene]indole-2-carboxylate
CID 135420644
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 6-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione (CID 135420645) is 6-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione is CC1=Nc2ccccc2/C1=C\c1c(O)n(-c2c(C)cc(C)cc2C)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione?
The InChIKey is VKTSPVAMWXSYKO-BOPFTXTBSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-12-9-13(2)20(14(3)10-12)26-22(28)18(21(27)25-23(26)29)11-17-15(4)24-19-8-6-5-7-16(17)19/h5-11,28H,1-4H3,(H,25,27,29)/b17-11-.
What are the key properties of 6-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione?
6-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione has a molecular weight of 387.44 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 135420645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).