5-hydroxy-N,1-dimethyl-2-[(3-methylphenyl)methylsulfonylamino]-6-oxopyrimidine-4-carboxamide

C15H18N4O5S — CID 86710291

IUPAC5-hydroxy-N,1-dimethyl-2-[(3-methylphenyl)methylsulfonylamino]-6-oxopyrimidine-4-carboxamide
SMILESCNC(=O)c1nc(NS(=O)(=O)Cc2cccc(C)c2)n(C)c(=O)c1O
InChIInChI=1S/C15H18N4O5S/c1-9-5-4-6-10(7-9)8-25(23,24)18-15-17-11(13(21)16-2)12(20)14(22)19(15)3/h4-7,20H,8H2,1-3H3,(H,16,21)(H,17,18)
InChIKeyYIEFCXXVORJJCA-UHFFFAOYSA-N
MW366.40 g/mol
LogP0.10
Rot. Bonds5

About 5-hydroxy-N,1-dimethyl-2-[(3-methylphenyl)methylsulfonylamino]-6-oxopyrimidine-4-carboxamide

5-hydroxy-N,1-dimethyl-2-[(3-methylphenyl)methylsulfonylamino]-6-oxopyrimidine-4-carboxamide (PubChem CID 86710291) has the molecular formula C15H18N4O5S and a molecular weight of 366.40 g/mol. Its IUPAC name is 5-hydroxy-N,1-dimethyl-2-[(3-methylphenyl)methylsulfonylamino]-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N,1-dimethyl-2-[(3-methylphenyl)methylsulfonylamino]-6-oxopyrimidine-4-carboxamide
PubChem CID86710291
Molecular FormulaC15H18N4O5S
Molecular Weight366.40 g/mol
Exact Mass366.10
IUPAC Name5-hydroxy-N,1-dimethyl-2-[(3-methylphenyl)methylsulfonylamino]-6-oxopyrimidine-4-carboxamide
SMILESCNC(=O)c1nc(NS(=O)(=O)Cc2cccc(C)c2)n(C)c(=O)c1O
InChIInChI=1S/C15H18N4O5S/c1-9-5-4-6-10(7-9)8-25(23,24)18-15-17-11(13(21)16-2)12(20)14(22)19(15)3/h4-7,20H,8H2,1-3H3,(H,16,21)(H,17,18)
InChIKeyYIEFCXXVORJJCA-UHFFFAOYSA-N
XLogP0.10
TPSA130.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-hydroxy-9,9-dimethyl-N-[(3-methylphenyl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717539
N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 154769759
ethyl N-[(3-methylphenyl)methylsulfonyl]carbamate
CID 175275781
2-methyl-2-[3-[(3-methylphenyl)methylsulfonylamino]phenyl]propanoic acid
CID 167927121
1-(3-methylphenyl)-N-(3-methylsulfonylphenyl)methanesulfonamide
CID 110779468
N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide
CID 110418031
N-methyl-3-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide
CID 18338468
5-chloro-N-[(3-methylphenyl)methylsulfonyl]-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
CID 139453083
N-(2-methyl-1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 110729080
4-[(3-methylphenyl)methylsulfonyl]benzoic acid
CID 24710637
1-(3-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 100683139
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-methylphenyl)methanesulfonamide
CID 122319799

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N,1-dimethyl-2-[(3-methylphenyl)methylsulfonylamino]-6-oxopyrimidine-4-carboxamide?
The IUPAC name of 5-hydroxy-N,1-dimethyl-2-[(3-methylphenyl)methylsulfonylamino]-6-oxopyrimidine-4-carboxamide (CID 86710291) is 5-hydroxy-N,1-dimethyl-2-[(3-methylphenyl)methylsulfonylamino]-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-N,1-dimethyl-2-[(3-methylphenyl)methylsulfonylamino]-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for 5-hydroxy-N,1-dimethyl-2-[(3-methylphenyl)methylsulfonylamino]-6-oxopyrimidine-4-carboxamide is CNC(=O)c1nc(NS(=O)(=O)Cc2cccc(C)c2)n(C)c(=O)c1O.
What is the InChIKey of 5-hydroxy-N,1-dimethyl-2-[(3-methylphenyl)methylsulfonylamino]-6-oxopyrimidine-4-carboxamide?
The InChIKey is YIEFCXXVORJJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5S/c1-9-5-4-6-10(7-9)8-25(23,24)18-15-17-11(13(21)16-2)12(20)14(22)19(15)3/h4-7,20H,8H2,1-3H3,(H,16,21)(H,17,18).
What are the key properties of 5-hydroxy-N,1-dimethyl-2-[(3-methylphenyl)methylsulfonylamino]-6-oxopyrimidine-4-carboxamide?
5-hydroxy-N,1-dimethyl-2-[(3-methylphenyl)methylsulfonylamino]-6-oxopyrimidine-4-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N,1-dimethyl-2-[(3-methylphenyl)methylsulfonylamino]-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 86710291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).