6-hydroxy-5-[[4-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-(propylsulfamoyl)phenyl]-3-[propyl(sulfinato)amino]phenyl]diazenyl]-2,4-dioxo-1H-pyrimidine

C26H27N10O10S2- — CID 137156147

IUPAC6-hydroxy-5-[[4-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-(propylsulfamoyl)phenyl]-3-[propyl(sulfinato)amino]phenyl]diazenyl]-2,4-dioxo-1H-pyrimidine
SMILESCCCNS(=O)(=O)c1cc(/N=N/c2c(O)[nH]c(=O)[nH]c2=O)ccc1-c1ccc(/N=N/c2c(O)[nH]c(=O)[nH]c2=O)cc1N(CCC)S(=O)[O-]
InChIInChI=1S/C26H28N10O10S2/c1-3-9-27-48(45,46)18-12-14(33-35-20-23(39)30-26(42)31-24(20)40)6-8-16(18)15-7-5-13(11-17(15)36(10-4-2)47(43)44)32-34-19-21(37)28-25(41)29-22(19)38/h5-8,11-12,27H,3-4,9-10H2,1-2H3,(H,43,44)(H3,28,29,37,38,41)(H3,30,31,39,40,42)/p-1/b34-32+,35-33+
InChIKeyYWPNKOIRZJLPEN-XUXOKTBYSA-M
MW703.70 g/mol
LogP2.05
Rot. Bonds13

About 6-hydroxy-5-[[4-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-(propylsulfamoyl)phenyl]-3-[propyl(sulfinato)amino]phenyl]diazenyl]-2,4-dioxo-1H-pyrimidine

6-hydroxy-5-[[4-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-(propylsulfamoyl)phenyl]-3-[propyl(sulfinato)amino]phenyl]diazenyl]-2,4-dioxo-1H-pyrimidine (PubChem CID 137156147) has the molecular formula C26H27N10O10S2- and a molecular weight of 703.70 g/mol. Its IUPAC name is 6-hydroxy-5-[[4-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-(propylsulfamoyl)phenyl]-3-[propyl(sulfinato)amino]phenyl]diazenyl]-2,4-dioxo-1H-pyrimidine.

Molecular Properties

Compound Name6-hydroxy-5-[[4-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-(propylsulfamoyl)phenyl]-3-[propyl(sulfinato)amino]phenyl]diazenyl]-2,4-dioxo-1H-pyrimidine
PubChem CID137156147
Molecular FormulaC26H27N10O10S2-
Molecular Weight703.70 g/mol
Exact Mass703.14
IUPAC Name6-hydroxy-5-[[4-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-(propylsulfamoyl)phenyl]-3-[propyl(sulfinato)amino]phenyl]diazenyl]-2,4-dioxo-1H-pyrimidine
SMILESCCCNS(=O)(=O)c1cc(/N=N/c2c(O)[nH]c(=O)[nH]c2=O)ccc1-c1ccc(/N=N/c2c(O)[nH]c(=O)[nH]c2=O)cc1N(CCC)S(=O)[O-]
InChIInChI=1S/C26H28N10O10S2/c1-3-9-27-48(45,46)18-12-14(33-35-20-23(39)30-26(42)31-24(20)40)6-8-16(18)15-7-5-13(11-17(15)36(10-4-2)47(43)44)32-34-19-21(37)28-25(41)29-22(19)38/h5-8,11-12,27H,3-4,9-10H2,1-2H3,(H,43,44)(H3,28,29,37,38,41)(H3,30,31,39,40,42)/p-1/b34-32+,35-33+
InChIKeyYWPNKOIRZJLPEN-XUXOKTBYSA-M
XLogP2.05
TPSA310.88 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500703.70
LogP ≤ 52.05
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-5-[[4-[4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]-2-(propylsulfamoyl)phenyl]-3-[propyl(sulfino)amino]phenyl]diazenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine
CID 137082210
5-[(3,4-dimethylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 135997650
4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-methylbenzamide
CID 136651148
2-chloro-4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]benzoic acid
CID 4764240
2,4-dioxo-N-propyl-1H-pyrimidine-5-sulfonamide
CID 43258987
N-(3-bromopropyl)-4-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzenesulfonamide
CID 137198638
5-[(4-benzoylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 2863650
3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(6-methylheptan-2-ylsulfamoyl)phenyl]-3-[6-methylheptan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;3-cyano-1-ethyl-5-[[4-[4-[(1-ethyl-6-hydroxy-5-isocyano-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-(3-propan-2-yloxypropylsulfamoyl)phenyl]-3-[3-propan-2-yloxypropyl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine;1-ethyl-3-[[4-[4-[(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl]-2-(4-phenylbutan-2-ylsulfamoyl)phenyl]-3-[4-phenylbutan-2-yl(sulfinato)amino]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine
CID 161238463
sodium;2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]benzenesulfonate;trihydrate
CID 139200933
5-[(4-bromo-2-methylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 4615917
7-[[4-[[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]benzoyl]amino]-5-(2-hydroxyethoxy)-2-methylphenyl]diazenyl]-3-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid
CID 136650932
5-[(4-ethoxyphenyl)diazenyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
CID 920944

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[[4-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-(propylsulfamoyl)phenyl]-3-[propyl(sulfinato)amino]phenyl]diazenyl]-2,4-dioxo-1H-pyrimidine?
The IUPAC name of 6-hydroxy-5-[[4-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-(propylsulfamoyl)phenyl]-3-[propyl(sulfinato)amino]phenyl]diazenyl]-2,4-dioxo-1H-pyrimidine (CID 137156147) is 6-hydroxy-5-[[4-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-(propylsulfamoyl)phenyl]-3-[propyl(sulfinato)amino]phenyl]diazenyl]-2,4-dioxo-1H-pyrimidine.
What is the SMILES notation for 6-hydroxy-5-[[4-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-(propylsulfamoyl)phenyl]-3-[propyl(sulfinato)amino]phenyl]diazenyl]-2,4-dioxo-1H-pyrimidine?
The canonical SMILES for 6-hydroxy-5-[[4-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-(propylsulfamoyl)phenyl]-3-[propyl(sulfinato)amino]phenyl]diazenyl]-2,4-dioxo-1H-pyrimidine is CCCNS(=O)(=O)c1cc(/N=N/c2c(O)[nH]c(=O)[nH]c2=O)ccc1-c1ccc(/N=N/c2c(O)[nH]c(=O)[nH]c2=O)cc1N(CCC)S(=O)[O-].
What is the InChIKey of 6-hydroxy-5-[[4-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-(propylsulfamoyl)phenyl]-3-[propyl(sulfinato)amino]phenyl]diazenyl]-2,4-dioxo-1H-pyrimidine?
The InChIKey is YWPNKOIRZJLPEN-XUXOKTBYSA-M. The full InChI is InChI=1S/C26H28N10O10S2/c1-3-9-27-48(45,46)18-12-14(33-35-20-23(39)30-26(42)31-24(20)40)6-8-16(18)15-7-5-13(11-17(15)36(10-4-2)47(43)44)32-34-19-21(37)28-25(41)29-22(19)38/h5-8,11-12,27H,3-4,9-10H2,1-2H3,(H,43,44)(H3,28,29,37,38,41)(H3,30,31,39,40,42)/p-1/b34-32+,35-33+.
What are the key properties of 6-hydroxy-5-[[4-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-(propylsulfamoyl)phenyl]-3-[propyl(sulfinato)amino]phenyl]diazenyl]-2,4-dioxo-1H-pyrimidine?
6-hydroxy-5-[[4-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-(propylsulfamoyl)phenyl]-3-[propyl(sulfinato)amino]phenyl]diazenyl]-2,4-dioxo-1H-pyrimidine has a molecular weight of 703.70 g/mol, XLogP of 2.05, 13 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[[4-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-(propylsulfamoyl)phenyl]-3-[propyl(sulfinato)amino]phenyl]diazenyl]-2,4-dioxo-1H-pyrimidine is sourced from PubChem (CID 137156147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).