5-[6-ethyl-5-(4-hydroxy-3-methylphenyl)sulfonyl-6H-phenanthridin-2-yl]-1H-pyrimidine-2,4-dione

C26H23N3O5S — CID 10097062

IUPAC5-[6-ethyl-5-(4-hydroxy-3-methylphenyl)sulfonyl-6H-phenanthridin-2-yl]-1H-pyrimidine-2,4-dione
SMILESCCC1c2ccccc2-c2cc(-c3c[nH]c(=O)[nH]c3=O)ccc2N1S(=O)(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C26H23N3O5S/c1-3-22-19-7-5-4-6-18(19)20-13-16(21-14-27-26(32)28-25(21)31)8-10-23(20)29(22)35(33,34)17-9-11-24(30)15(2)12-17/h4-14,22,30H,3H2,1-2H3,(H2,27,28,31,32)
InChIKeyFGPSBLGNWLOGTP-UHFFFAOYSA-N
MW489.55 g/mol
LogP4.07
Rot. Bonds4

About 5-[6-ethyl-5-(4-hydroxy-3-methylphenyl)sulfonyl-6H-phenanthridin-2-yl]-1H-pyrimidine-2,4-dione

5-[6-ethyl-5-(4-hydroxy-3-methylphenyl)sulfonyl-6H-phenanthridin-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 10097062) has the molecular formula C26H23N3O5S and a molecular weight of 489.55 g/mol. Its IUPAC name is 5-[6-ethyl-5-(4-hydroxy-3-methylphenyl)sulfonyl-6H-phenanthridin-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[6-ethyl-5-(4-hydroxy-3-methylphenyl)sulfonyl-6H-phenanthridin-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID10097062
Molecular FormulaC26H23N3O5S
Molecular Weight489.55 g/mol
Exact Mass489.14
IUPAC Name5-[6-ethyl-5-(4-hydroxy-3-methylphenyl)sulfonyl-6H-phenanthridin-2-yl]-1H-pyrimidine-2,4-dione
SMILESCCC1c2ccccc2-c2cc(-c3c[nH]c(=O)[nH]c3=O)ccc2N1S(=O)(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C26H23N3O5S/c1-3-22-19-7-5-4-6-18(19)20-13-16(21-14-27-26(32)28-25(21)31)8-10-23(20)29(22)35(33,34)17-9-11-24(30)15(2)12-17/h4-14,22,30H,3H2,1-2H3,(H2,27,28,31,32)
InChIKeyFGPSBLGNWLOGTP-UHFFFAOYSA-N
XLogP4.07
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-ethyl-5-(4-hydroxy-3-methylphenyl)sulfonyl-6H-phenanthridin-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[6-ethyl-5-(4-hydroxy-3-methylphenyl)sulfonyl-6H-phenanthridin-2-yl]-1H-pyrimidine-2,4-dione (CID 10097062) is 5-[6-ethyl-5-(4-hydroxy-3-methylphenyl)sulfonyl-6H-phenanthridin-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[6-ethyl-5-(4-hydroxy-3-methylphenyl)sulfonyl-6H-phenanthridin-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[6-ethyl-5-(4-hydroxy-3-methylphenyl)sulfonyl-6H-phenanthridin-2-yl]-1H-pyrimidine-2,4-dione is CCC1c2ccccc2-c2cc(-c3c[nH]c(=O)[nH]c3=O)ccc2N1S(=O)(=O)c1ccc(O)c(C)c1.
What is the InChIKey of 5-[6-ethyl-5-(4-hydroxy-3-methylphenyl)sulfonyl-6H-phenanthridin-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is FGPSBLGNWLOGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5S/c1-3-22-19-7-5-4-6-18(19)20-13-16(21-14-27-26(32)28-25(21)31)8-10-23(20)29(22)35(33,34)17-9-11-24(30)15(2)12-17/h4-14,22,30H,3H2,1-2H3,(H2,27,28,31,32).
What are the key properties of 5-[6-ethyl-5-(4-hydroxy-3-methylphenyl)sulfonyl-6H-phenanthridin-2-yl]-1H-pyrimidine-2,4-dione?
5-[6-ethyl-5-(4-hydroxy-3-methylphenyl)sulfonyl-6H-phenanthridin-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 489.55 g/mol, XLogP of 4.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-ethyl-5-(4-hydroxy-3-methylphenyl)sulfonyl-6H-phenanthridin-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10097062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).