5-(2-amino-4-methylpyrimidin-5-yl)-2-methyl-3-phenylbenzenesulfonamide

C18H18N4O2S — CID 142783786

IUPAC5-(2-amino-4-methylpyrimidin-5-yl)-2-methyl-3-phenylbenzenesulfonamide
SMILESCc1nc(N)ncc1-c1cc(-c2ccccc2)c(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C18H18N4O2S/c1-11-15(13-6-4-3-5-7-13)8-14(9-17(11)25(20,23)24)16-10-21-18(19)22-12(16)2/h3-10H,1-2H3,(H2,19,21,22)(H2,20,23,24)
InChIKeyFUGDIJJMMKNJST-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.66
Rot. Bonds3

About 5-(2-amino-4-methylpyrimidin-5-yl)-2-methyl-3-phenylbenzenesulfonamide

5-(2-amino-4-methylpyrimidin-5-yl)-2-methyl-3-phenylbenzenesulfonamide (PubChem CID 142783786) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 5-(2-amino-4-methylpyrimidin-5-yl)-2-methyl-3-phenylbenzenesulfonamide.

Molecular Properties

Compound Name5-(2-amino-4-methylpyrimidin-5-yl)-2-methyl-3-phenylbenzenesulfonamide
PubChem CID142783786
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name5-(2-amino-4-methylpyrimidin-5-yl)-2-methyl-3-phenylbenzenesulfonamide
SMILESCc1nc(N)ncc1-c1cc(-c2ccccc2)c(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C18H18N4O2S/c1-11-15(13-6-4-3-5-7-13)8-14(9-17(11)25(20,23)24)16-10-21-18(19)22-12(16)2/h3-10H,1-2H3,(H2,19,21,22)(H2,20,23,24)
InChIKeyFUGDIJJMMKNJST-UHFFFAOYSA-N
XLogP2.66
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-(4-chlorophenyl)benzenesulfonamide
CID 142783722
5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 142783755
5-(2-amino-4-methylpyrimidin-5-yl)-2-bromo-3-(2-methoxyethyl)benzenesulfonamide
CID 142783742
5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-piperidin-4-ylbenzenesulfonamide
CID 142783760
2-(N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]sulfonylanilino)guanidine
CID 68726489
5-(2-amino-4-methylpyrimidin-5-yl)-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide
CID 25206724
5-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-4-methylpyrimidin-2-amine
CID 25206893
N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]methanesulfonamide
CID 68726786
4-chloro-5-phenylpyrimidin-2-amine
CID 89417218
4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 69406899
4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine
CID 58281695
1-[[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]sulfonylamino]-1-phenylguanidine;hydrochloride
CID 161284734

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-methylpyrimidin-5-yl)-2-methyl-3-phenylbenzenesulfonamide?
The IUPAC name of 5-(2-amino-4-methylpyrimidin-5-yl)-2-methyl-3-phenylbenzenesulfonamide (CID 142783786) is 5-(2-amino-4-methylpyrimidin-5-yl)-2-methyl-3-phenylbenzenesulfonamide.
What is the SMILES notation for 5-(2-amino-4-methylpyrimidin-5-yl)-2-methyl-3-phenylbenzenesulfonamide?
The canonical SMILES for 5-(2-amino-4-methylpyrimidin-5-yl)-2-methyl-3-phenylbenzenesulfonamide is Cc1nc(N)ncc1-c1cc(-c2ccccc2)c(C)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-(2-amino-4-methylpyrimidin-5-yl)-2-methyl-3-phenylbenzenesulfonamide?
The InChIKey is FUGDIJJMMKNJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-11-15(13-6-4-3-5-7-13)8-14(9-17(11)25(20,23)24)16-10-21-18(19)22-12(16)2/h3-10H,1-2H3,(H2,19,21,22)(H2,20,23,24).
What are the key properties of 5-(2-amino-4-methylpyrimidin-5-yl)-2-methyl-3-phenylbenzenesulfonamide?
5-(2-amino-4-methylpyrimidin-5-yl)-2-methyl-3-phenylbenzenesulfonamide has a molecular weight of 354.44 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-methylpyrimidin-5-yl)-2-methyl-3-phenylbenzenesulfonamide is sourced from PubChem (CID 142783786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).