3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N,N-dimethylbenzenesulfonamide

C12H14N4O4S — CID 139976080

IUPAC3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(Nc2nc(O)cc(=O)[nH]2)c1
InChIInChI=1S/C12H14N4O4S/c1-16(2)21(19,20)9-5-3-4-8(6-9)13-12-14-10(17)7-11(18)15-12/h3-7H,1-2H3,(H3,13,14,15,17,18)
InChIKeyGLYUXYLZTMXZCO-UHFFFAOYSA-N
MW310.34 g/mol
LogP0.47
Rot. Bonds4

About 3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N,N-dimethylbenzenesulfonamide

3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 139976080) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is 3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N,N-dimethylbenzenesulfonamide
PubChem CID139976080
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC Name3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(Nc2nc(O)cc(=O)[nH]2)c1
InChIInChI=1S/C12H14N4O4S/c1-16(2)21(19,20)9-5-3-4-8(6-9)13-12-14-10(17)7-11(18)15-12/h3-7H,1-2H3,(H3,13,14,15,17,18)
InChIKeyGLYUXYLZTMXZCO-UHFFFAOYSA-N
XLogP0.47
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-hydroxy-6-oxo-(4,5,6-13C3)1H-pyrimidin-2-yl)amino]benzonitrile
CID 71316163
N,N-dimethyl-3-[(4-methylpyrimidin-2-yl)amino]benzenesulfonamide
CID 123424384
2-(2,3-dihydro-1H-inden-5-ylamino)-4-hydroxy-1H-pyrimidin-6-one
CID 139976142
3-[(2-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43715556
1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)urea
CID 122150681
N,N-dimethyl-3-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 7062731
N-[3-(dimethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26654058
2-(3-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one
CID 135443968
3-[[6-(3-ethylsulfonylanilino)pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 159405176
1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)thiourea
CID 3626438
3-(dimethylsulfamoyl)benzenesulfonyl fluoride
CID 114791207
N,N-dimethyl-3-(propan-2-ylsulfonylamino)benzenesulfonamide
CID 63000001

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N,N-dimethylbenzenesulfonamide (CID 139976080) is 3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(Nc2nc(O)cc(=O)[nH]2)c1.
What is the InChIKey of 3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is GLYUXYLZTMXZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-16(2)21(19,20)9-5-3-4-8(6-9)13-12-14-10(17)7-11(18)15-12/h3-7H,1-2H3,(H3,13,14,15,17,18).
What are the key properties of 3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N,N-dimethylbenzenesulfonamide?
3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 310.34 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 139976080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).