N-[4-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide

C19H20N4O3S — CID 25101887

IUPACN-[4-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide
SMILESCOc1ccccc1-c1ccnc(Nc2ccc(N(C)S(C)(=O)=O)cc2)n1
InChIInChI=1S/C19H20N4O3S/c1-23(27(3,24)25)15-10-8-14(9-11-15)21-19-20-13-12-17(22-19)16-6-4-5-7-18(16)26-2/h4-13H,1-3H3,(H,20,21,22)
InChIKeyGMMZCOPBSDXSDS-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.29
Rot. Bonds6

About N-[4-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide

N-[4-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide (PubChem CID 25101887) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[4-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide
PubChem CID25101887
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[4-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide
SMILESCOc1ccccc1-c1ccnc(Nc2ccc(N(C)S(C)(=O)=O)cc2)n1
InChIInChI=1S/C19H20N4O3S/c1-23(27(3,24)25)15-10-8-14(9-11-15)21-19-20-13-12-17(22-19)16-6-4-5-7-18(16)26-2/h4-13H,1-3H3,(H,20,21,22)
InChIKeyGMMZCOPBSDXSDS-UHFFFAOYSA-N
XLogP3.29
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methanesulfonamide
CID 25022388
N-methyl-N-[3-[2-(3-nitrosoanilino)pyrimidin-4-yl]phenyl]methanesulfonamide
CID 89267402
N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-N-methylmethanesulfonamide
CID 9343584
4-methoxy-N-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 164625490
2,6-dimethoxy-N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 113094497
4-[4-(2-aminophenoxy)phenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 134155081
4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11667571
N-[4-(dimethylamino)phenyl]-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 25212381
4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine
CID 59235722
4-(1-benzofuran-3-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 171354201
4-(2-ethoxyphenyl)-N-methylpyrimidin-2-amine
CID 63547712
N-(4-methylsulfonylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 10172462

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide (CID 25101887) is N-[4-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide is COc1ccccc1-c1ccnc(Nc2ccc(N(C)S(C)(=O)=O)cc2)n1.
What is the InChIKey of N-[4-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide?
The InChIKey is GMMZCOPBSDXSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-23(27(3,24)25)15-10-8-14(9-11-15)21-19-20-13-12-17(22-19)16-6-4-5-7-18(16)26-2/h4-13H,1-3H3,(H,20,21,22).
What are the key properties of N-[4-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide?
N-[4-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide has a molecular weight of 384.46 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 25101887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).