6-hydroxy-5-[[5-methoxy-1-(thiophene-2-carbonyl)indol-3-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

C21H19N3O5S — CID 1482198

IUPAC6-hydroxy-5-[[5-methoxy-1-(thiophene-2-carbonyl)indol-3-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1ccc2c(c1)c(Cc1c(O)n(C)c(=O)n(C)c1=O)cn2C(=O)c1cccs1
InChIInChI=1S/C21H19N3O5S/c1-22-18(25)15(19(26)23(2)21(22)28)9-12-11-24(20(27)17-5-4-8-30-17)16-7-6-13(29-3)10-14(12)16/h4-8,10-11,25H,9H2,1-3H3
InChIKeyRQWQJNVXTKNFHV-UHFFFAOYSA-N
MW425.47 g/mol
LogP2.09
Rot. Bonds4

About 6-hydroxy-5-[[5-methoxy-1-(thiophene-2-carbonyl)indol-3-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-hydroxy-5-[[5-methoxy-1-(thiophene-2-carbonyl)indol-3-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 1482198) has the molecular formula C21H19N3O5S and a molecular weight of 425.47 g/mol. Its IUPAC name is 6-hydroxy-5-[[5-methoxy-1-(thiophene-2-carbonyl)indol-3-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[[5-methoxy-1-(thiophene-2-carbonyl)indol-3-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID1482198
Molecular FormulaC21H19N3O5S
Molecular Weight425.47 g/mol
Exact Mass425.10
IUPAC Name6-hydroxy-5-[[5-methoxy-1-(thiophene-2-carbonyl)indol-3-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1ccc2c(c1)c(Cc1c(O)n(C)c(=O)n(C)c1=O)cn2C(=O)c1cccs1
InChIInChI=1S/C21H19N3O5S/c1-22-18(25)15(19(26)23(2)21(22)28)9-12-11-24(20(27)17-5-4-8-30-17)16-7-6-13(29-3)10-14(12)16/h4-8,10-11,25H,9H2,1-3H3
InChIKeyRQWQJNVXTKNFHV-UHFFFAOYSA-N
XLogP2.09
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[[5-methoxy-1-(thiophene-2-carbonyl)indol-3-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[[5-methoxy-1-(thiophene-2-carbonyl)indol-3-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 1482198) is 6-hydroxy-5-[[5-methoxy-1-(thiophene-2-carbonyl)indol-3-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[[5-methoxy-1-(thiophene-2-carbonyl)indol-3-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[[5-methoxy-1-(thiophene-2-carbonyl)indol-3-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is COc1ccc2c(c1)c(Cc1c(O)n(C)c(=O)n(C)c1=O)cn2C(=O)c1cccs1.
What is the InChIKey of 6-hydroxy-5-[[5-methoxy-1-(thiophene-2-carbonyl)indol-3-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is RQWQJNVXTKNFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5S/c1-22-18(25)15(19(26)23(2)21(22)28)9-12-11-24(20(27)17-5-4-8-30-17)16-7-6-13(29-3)10-14(12)16/h4-8,10-11,25H,9H2,1-3H3.
What are the key properties of 6-hydroxy-5-[[5-methoxy-1-(thiophene-2-carbonyl)indol-3-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-hydroxy-5-[[5-methoxy-1-(thiophene-2-carbonyl)indol-3-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 425.47 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[[5-methoxy-1-(thiophene-2-carbonyl)indol-3-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 1482198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).