5-[(5-bromoindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C15H12BrN3O3 — CID 1262845

IUPAC5-[(5-bromoindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(C=C2C=Nc3ccc(Br)cc32)c(=O)n(C)c1=O
InChIInChI=1S/C15H12BrN3O3/c1-18-13(20)11(14(21)19(2)15(18)22)5-8-7-17-12-4-3-9(16)6-10(8)12/h3-7,20H,1-2H3
InChIKeyWEGJDDGNXOTJOZ-UHFFFAOYSA-N
MW362.18 g/mol
LogP1.81
Rot. Bonds1

About 5-[(5-bromoindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-[(5-bromoindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 1262845) has the molecular formula C15H12BrN3O3 and a molecular weight of 362.18 g/mol. Its IUPAC name is 5-[(5-bromoindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(5-bromoindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID1262845
Molecular FormulaC15H12BrN3O3
Molecular Weight362.18 g/mol
Exact Mass361.01
IUPAC Name5-[(5-bromoindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(C=C2C=Nc3ccc(Br)cc32)c(=O)n(C)c1=O
InChIInChI=1S/C15H12BrN3O3/c1-18-13(20)11(14(21)19(2)15(18)22)5-8-7-17-12-4-3-9(16)6-10(8)12/h3-7,20H,1-2H3
InChIKeyWEGJDDGNXOTJOZ-UHFFFAOYSA-N
XLogP1.81
TPSA76.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.18
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromoindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(5-bromoindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 1262845) is 5-[(5-bromoindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(5-bromoindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(5-bromoindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is Cn1c(O)c(C=C2C=Nc3ccc(Br)cc32)c(=O)n(C)c1=O.
What is the InChIKey of 5-[(5-bromoindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is WEGJDDGNXOTJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O3/c1-18-13(20)11(14(21)19(2)15(18)22)5-8-7-17-12-4-3-9(16)6-10(8)12/h3-7,20H,1-2H3.
What are the key properties of 5-[(5-bromoindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-[(5-bromoindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 362.18 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromoindol-3-ylidene)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 1262845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).