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

C20H14BrN3O3 — CID 1347288

IUPAC1-(3-bromophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione
SMILESCC1=Nc2ccccc2C1=Cc1c(O)n(-c2cccc(Br)c2)c(=O)[nH]c1=O
InChIInChI=1S/C20H14BrN3O3/c1-11-15(14-7-2-3-8-17(14)22-11)10-16-18(25)23-20(27)24(19(16)26)13-6-4-5-12(21)9-13/h2-10,26H,1H3,(H,23,25,27)
InChIKeyIQMXVPAHOXQBFP-UHFFFAOYSA-N
MW424.25 g/mol
LogP3.64
Rot. Bonds2

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

1-(3-bromophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione (PubChem CID 1347288) has the molecular formula C20H14BrN3O3 and a molecular weight of 424.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-bromophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione
PubChem CID1347288
Molecular FormulaC20H14BrN3O3
Molecular Weight424.25 g/mol
Exact Mass423.02
IUPAC Name1-(3-bromophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione
SMILESCC1=Nc2ccccc2C1=Cc1c(O)n(-c2cccc(Br)c2)c(=O)[nH]c1=O
InChIInChI=1S/C20H14BrN3O3/c1-11-15(14-7-2-3-8-17(14)22-11)10-16-18(25)23-20(27)24(19(16)26)13-6-4-5-12(21)9-13/h2-10,26H,1H3,(H,23,25,27)
InChIKeyIQMXVPAHOXQBFP-UHFFFAOYSA-N
XLogP3.64
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.25
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5E)-1-(4-fluorophenyl)-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135469945
(5Z)-5-(1H-indol-3-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
CID 135458887
(5E)-1-(3-fluorophenyl)-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135458290
5-[(5-Bromoindol-3-ylidene)methyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 1399226
(5E)-1-(2-fluorophenyl)-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135451179
1-(4-ethylphenyl)-5-(1H-indol-2-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 135478291
6-hydroxy-5-[(Z)-indol-2-ylidenemethyl]-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 136179193
6-hydroxy-5-[(Z)-indol-2-ylidenemethyl]-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 145985886
(5E)-6-hydroxy-3-phenyl-5-[(2-phenyl-1H-indol-3-yl)methylidene]pyrimidine-2,4(3H,5H)-dione
CID 135420702
(5E)-6-hydroxy-3-(3-methylphenyl)-5-[(2-phenyl-1H-indol-3-yl)methylidene]pyrimidine-2,4(3H,5H)-dione
CID 135433215
(5E)-6-hydroxy-3-(4-methylphenyl)-5-[(2-phenyl-1H-indol-3-yl)methylidene]pyrimidine-2,4(3H,5H)-dione
CID 135469926
(5E)-1-(2-methylphenyl)-5-[(2-phenyl-1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 135473941

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(3-bromophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione (CID 1347288) is 1-(3-bromophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-bromophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(3-bromophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione is CC1=Nc2ccccc2C1=Cc1c(O)n(-c2cccc(Br)c2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(3-bromophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione?
The InChIKey is IQMXVPAHOXQBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O3/c1-11-15(14-7-2-3-8-17(14)22-11)10-16-18(25)23-20(27)24(19(16)26)13-6-4-5-12(21)9-13/h2-10,26H,1H3,(H,23,25,27).
What are the key properties of 1-(3-bromophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione?
1-(3-bromophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione has a molecular weight of 424.25 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 1347288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).