N-[2-methyl-5-[[6-(4-phenylphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide

C24H22N4O2S — CID 25138217

IUPACN-[2-methyl-5-[[6-(4-phenylphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
SMILESCc1ccc(Nc2cc(-c3ccc(-c4ccccc4)cc3)ncn2)cc1NS(C)(=O)=O
InChIInChI=1S/C24H22N4O2S/c1-17-8-13-21(14-22(17)28-31(2,29)30)27-24-15-23(25-16-26-24)20-11-9-19(10-12-20)18-6-4-3-5-7-18/h3-16,28H,1-2H3,(H,25,26,27)
InChIKeyJIUIHZIUIIXFBM-UHFFFAOYSA-N
MW430.53 g/mol
LogP5.23
Rot. Bonds6

About N-[2-methyl-5-[[6-(4-phenylphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide

N-[2-methyl-5-[[6-(4-phenylphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide (PubChem CID 25138217) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[2-methyl-5-[[6-(4-phenylphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[6-(4-phenylphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
PubChem CID25138217
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC NameN-[2-methyl-5-[[6-(4-phenylphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
SMILESCc1ccc(Nc2cc(-c3ccc(-c4ccccc4)cc3)ncn2)cc1NS(C)(=O)=O
InChIInChI=1S/C24H22N4O2S/c1-17-8-13-21(14-22(17)28-31(2,29)30)27-24-15-23(25-16-26-24)20-11-9-19(10-12-20)18-6-4-3-5-7-18/h3-16,28H,1-2H3,(H,25,26,27)
InChIKeyJIUIHZIUIIXFBM-UHFFFAOYSA-N
XLogP5.23
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[6-[3-(methanesulfonamido)-4-methylanilino]pyrimidin-4-yl]phenyl]methanesulfonamide
CID 68915423
N-[2-fluoro-5-[(6-phenylpyrimidin-4-yl)amino]phenyl]methanesulfonamide
CID 25138206
N-[5-[[6-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide
CID 68915471
N-[2-methyl-5-[[6-[4-(2-methylpropyl)phenyl]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 155544134
N-[5-[[6-[2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide
CID 68917822
N-[[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]methyl]methanesulfonamide
CID 67251720
1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine
CID 108773977
N-[[3-[(6-phenylpyrimidin-4-yl)amino]phenyl]methyl]methanesulfonamide
CID 67252155
N-(6-methyl-3-pyridinyl)-6-phenylpyrimidin-4-amine
CID 58119047
N-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]methanesulfonamide
CID 42628828
N-(4-bromophenyl)-6-phenylpyrimidin-4-amine
CID 16876814
4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid
CID 1408950

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[6-(4-phenylphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-methyl-5-[[6-(4-phenylphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide (CID 25138217) is N-[2-methyl-5-[[6-(4-phenylphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-5-[[6-(4-phenylphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-5-[[6-(4-phenylphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide is Cc1ccc(Nc2cc(-c3ccc(-c4ccccc4)cc3)ncn2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-5-[[6-(4-phenylphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide?
The InChIKey is JIUIHZIUIIXFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-17-8-13-21(14-22(17)28-31(2,29)30)27-24-15-23(25-16-26-24)20-11-9-19(10-12-20)18-6-4-3-5-7-18/h3-16,28H,1-2H3,(H,25,26,27).
What are the key properties of N-[2-methyl-5-[[6-(4-phenylphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide?
N-[2-methyl-5-[[6-(4-phenylphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide has a molecular weight of 430.53 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[6-(4-phenylphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 25138217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).