2-amino-N-(4-methoxyphenyl)-N-methylpyrimidine-5-sulfonamide

C12H14N4O3S — CID 62157891

IUPAC2-amino-N-(4-methoxyphenyl)-N-methylpyrimidine-5-sulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cnc(N)nc2)cc1
InChIInChI=1S/C12H14N4O3S/c1-16(9-3-5-10(19-2)6-4-9)20(17,18)11-7-14-12(13)15-8-11/h3-8H,1-2H3,(H2,13,14,15)
InChIKeyGHAKOWSMMUBUCC-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.89
Rot. Bonds4

About 2-amino-N-(4-methoxyphenyl)-N-methylpyrimidine-5-sulfonamide

2-amino-N-(4-methoxyphenyl)-N-methylpyrimidine-5-sulfonamide (PubChem CID 62157891) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-amino-N-(4-methoxyphenyl)-N-methylpyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-methoxyphenyl)-N-methylpyrimidine-5-sulfonamide
PubChem CID62157891
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name2-amino-N-(4-methoxyphenyl)-N-methylpyrimidine-5-sulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cnc(N)nc2)cc1
InChIInChI=1S/C12H14N4O3S/c1-16(9-3-5-10(19-2)6-4-9)20(17,18)11-7-14-12(13)15-8-11/h3-8H,1-2H3,(H2,13,14,15)
InChIKeyGHAKOWSMMUBUCC-UHFFFAOYSA-N
XLogP0.89
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-methyl-N-(4-nitrophenyl)pyrimidine-5-sulfonamide
CID 62142843
4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 967709
N-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide
CID 113094889
3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 81258864
N-(4-ethylphenyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide
CID 166311152
6-amino-5-chloro-N-(3-methoxyphenyl)-N-methylpyridine-3-sulfonamide
CID 64601866
N-(3H-benzimidazol-5-yl)-4-methoxy-N-methylbenzenesulfonamide
CID 110869229
N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94622750
3-fluoro-N-(4-methoxyphenyl)-N-methylpyridine-2-sulfonamide
CID 103299968
N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94661208
N-[4-[[(1S)-2,2-dichlorocyclopropyl]methoxy]phenyl]-4-methoxy-N-methylbenzenesulfonamide
CID 9353867
6-amino-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 62158613

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methoxyphenyl)-N-methylpyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-(4-methoxyphenyl)-N-methylpyrimidine-5-sulfonamide (CID 62157891) is 2-amino-N-(4-methoxyphenyl)-N-methylpyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(4-methoxyphenyl)-N-methylpyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-(4-methoxyphenyl)-N-methylpyrimidine-5-sulfonamide is COc1ccc(N(C)S(=O)(=O)c2cnc(N)nc2)cc1.
What is the InChIKey of 2-amino-N-(4-methoxyphenyl)-N-methylpyrimidine-5-sulfonamide?
The InChIKey is GHAKOWSMMUBUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-16(9-3-5-10(19-2)6-4-9)20(17,18)11-7-14-12(13)15-8-11/h3-8H,1-2H3,(H2,13,14,15).
What are the key properties of 2-amino-N-(4-methoxyphenyl)-N-methylpyrimidine-5-sulfonamide?
2-amino-N-(4-methoxyphenyl)-N-methylpyrimidine-5-sulfonamide has a molecular weight of 294.34 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methoxyphenyl)-N-methylpyrimidine-5-sulfonamide is sourced from PubChem (CID 62157891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).