2-[[5-chloro-2-[4-methyl-5-(2-methyl-1H-imidazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[4-methyl-5-(1,2-oxazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[4-methyl-2-propan-2-yloxy-5-(1H-pyrazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

C77H86Cl3N19O10S3 — CID 161024603

IUPAC2-[[5-chloro-2-[4-methyl-5-(2-methyl-1H-imidazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[4-methyl-5-(1,2-oxazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[4-methyl-2-propan-2-yloxy-5-(1H-pyrazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(OC(C)C)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1-c1ccn[nH]1.Cc1cc(OC(C)C)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)N(C)C)n2)cc1-c1ccno1.Cc1ncc(-c2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)c(OC(C)C)cc2C)[nH]1
InChIInChI=1S/C26H30ClN7O3S.C26H29ClN6O3S.C25H27ClN6O4S/c1-15(2)37-23-11-16(3)18(22-14-28-17(4)30-22)12-21(23)32-26-29-13-19(27)25(33-26)31-20-9-7-8-10-24(20)38(35,36)34(5)6;1-15(2)36-23-12-17(5)18(20-10-11-29-33-20)13-22(23)31-26-28-14-19(27)25(32-26)30-21-8-6-7-9-24(21)37(34,35)16(3)4;1-15(2)35-22-12-16(3)17(21-10-11-28-36-21)13-20(22)30-25-27-14-18(26)24(31-25)29-19-8-6-7-9-23(19)37(33,34)32(4)5/h7-15H,1-6H3,(H,28,30)(H2,29,31,32,33);6-16H,1-5H3,(H,29,33)(H2,28,30,31,32);6-15H,1-5H3,(H2,27,29,30,31)
InChIKeyTYUWVYQTHCMYPH-UHFFFAOYSA-N
MW1640.22 g/mol
LogP17.56
Rot. Bonds27

About 2-[[5-chloro-2-[4-methyl-5-(2-methyl-1H-imidazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[4-methyl-5-(1,2-oxazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[4-methyl-2-propan-2-yloxy-5-(1H-pyrazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

2-[[5-chloro-2-[4-methyl-5-(2-methyl-1H-imidazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[4-methyl-5-(1,2-oxazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[4-methyl-2-propan-2-yloxy-5-(1H-pyrazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (PubChem CID 161024603) has the molecular formula C77H86Cl3N19O10S3 and a molecular weight of 1640.22 g/mol. Its IUPAC name is 2-[[5-chloro-2-[4-methyl-5-(2-methyl-1H-imidazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[4-methyl-5-(1,2-oxazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[4-methyl-2-propan-2-yloxy-5-(1H-pyrazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-[[5-chloro-2-[4-methyl-5-(2-methyl-1H-imidazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[4-methyl-5-(1,2-oxazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[4-methyl-2-propan-2-yloxy-5-(1H-pyrazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
PubChem CID161024603
Molecular FormulaC77H86Cl3N19O10S3
Molecular Weight1640.22 g/mol
Exact Mass1637.50
IUPAC Name2-[[5-chloro-2-[4-methyl-5-(2-methyl-1H-imidazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[4-methyl-5-(1,2-oxazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[4-methyl-2-propan-2-yloxy-5-(1H-pyrazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(OC(C)C)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1-c1ccn[nH]1.Cc1cc(OC(C)C)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)N(C)C)n2)cc1-c1ccno1.Cc1ncc(-c2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)c(OC(C)C)cc2C)[nH]1
InChIInChI=1S/C26H30ClN7O3S.C26H29ClN6O3S.C25H27ClN6O4S/c1-15(2)37-23-11-16(3)18(22-14-28-17(4)30-22)12-21(23)32-26-29-13-19(27)25(33-26)31-20-9-7-8-10-24(20)38(35,36)34(5)6;1-15(2)36-23-12-17(5)18(20-10-11-29-33-20)13-22(23)31-26-28-14-19(27)25(32-26)30-21-8-6-7-9-24(21)37(34,35)16(3)4;1-15(2)35-22-12-16(3)17(21-10-11-28-36-21)13-20(22)30-25-27-14-18(26)24(31-25)29-19-8-6-7-9-23(19)37(33,34)32(4)5/h7-15H,1-6H3,(H,28,30)(H2,29,31,32,33);6-16H,1-5H3,(H,29,33)(H2,28,30,31,32);6-15H,1-5H3,(H2,27,29,30,31)
InChIKeyTYUWVYQTHCMYPH-UHFFFAOYSA-N
XLogP17.56
TPSA369.50 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds27
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001640.22
LogP ≤ 517.56
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze 2-[[5-chloro-2-[4-methyl-5-(2-methyl-1H-imidazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[4-methyl-5-(1,2-oxazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[4-methyl-2-propan-2-yloxy-5-(1H-pyrazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-[[5-chloro-2-[4-methyl-5-(2-methyl-4,5-dihydro-3H-azepin-7-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 154559626
5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N,2-dimethyl-4-propan-2-yloxybenzamide
CID 25160678
2-[5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-4-propan-2-yloxyphenyl]acetaldehyde
CID 87673119
5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 130443433
5-chloro-2-N-[4-[(2S,6S)-2,6-dimethyl-1,2,3,6-tetrahydropyridin-4-yl]-5-methyl-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 138678723
6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyisoindol-1-ol
CID 91434764
2-N-[5-[(Z)-3-aminobut-2-enimidoyl]-4-methyl-2-propan-2-yloxyphenyl]-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 143694652
5-chloro-2-N-[4-[(2R,5S)-5-(dimethylamino)piperidin-2-yl]-5-methyl-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 58374574
ethyl 5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-oxo-6-propan-2-yloxy-1H-isoindole-2-carboxylate
CID 59764426
5-chloro-2-N-[4-[(2S,6S)-2,6-diethyl-1,2,3,6-tetrahydropyridin-4-yl]-5-methyl-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 138678675
5-chloro-2-N-[4-[(2R)-2,6-di(cyclobutyl)-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-5-methyl-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 138712333
2-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-propan-2-yloxyphenyl]-2-methylpropan-1-ol
CID 59764398

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-[4-methyl-5-(2-methyl-1H-imidazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[4-methyl-5-(1,2-oxazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[4-methyl-2-propan-2-yloxy-5-(1H-pyrazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-[[5-chloro-2-[4-methyl-5-(2-methyl-1H-imidazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[4-methyl-5-(1,2-oxazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[4-methyl-2-propan-2-yloxy-5-(1H-pyrazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (CID 161024603) is 2-[[5-chloro-2-[4-methyl-5-(2-methyl-1H-imidazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[4-methyl-5-(1,2-oxazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[4-methyl-2-propan-2-yloxy-5-(1H-pyrazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-[[5-chloro-2-[4-methyl-5-(2-methyl-1H-imidazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[4-methyl-5-(1,2-oxazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[4-methyl-2-propan-2-yloxy-5-(1H-pyrazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-[[5-chloro-2-[4-methyl-5-(2-methyl-1H-imidazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[4-methyl-5-(1,2-oxazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[4-methyl-2-propan-2-yloxy-5-(1H-pyrazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is Cc1cc(OC(C)C)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1-c1ccn[nH]1.Cc1cc(OC(C)C)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)N(C)C)n2)cc1-c1ccno1.Cc1ncc(-c2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)c(OC(C)C)cc2C)[nH]1.
What is the InChIKey of 2-[[5-chloro-2-[4-methyl-5-(2-methyl-1H-imidazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[4-methyl-5-(1,2-oxazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[4-methyl-2-propan-2-yloxy-5-(1H-pyrazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The InChIKey is TYUWVYQTHCMYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN7O3S.C26H29ClN6O3S.C25H27ClN6O4S/c1-15(2)37-23-11-16(3)18(22-14-28-17(4)30-22)12-21(23)32-26-29-13-19(27)25(33-26)31-20-9-7-8-10-24(20)38(35,36)34(5)6;1-15(2)36-23-12-17(5)18(20-10-11-29-33-20)13-22(23)31-26-28-14-19(27)25(32-26)30-21-8-6-7-9-24(21)37(34,35)16(3)4;1-15(2)35-22-12-16(3)17(21-10-11-28-36-21)13-20(22)30-25-27-14-18(26)24(31-25)29-19-8-6-7-9-23(19)37(33,34)32(4)5/h7-15H,1-6H3,(H,28,30)(H2,29,31,32,33);6-16H,1-5H3,(H,29,33)(H2,28,30,31,32);6-15H,1-5H3,(H2,27,29,30,31).
What are the key properties of 2-[[5-chloro-2-[4-methyl-5-(2-methyl-1H-imidazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[4-methyl-5-(1,2-oxazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[4-methyl-2-propan-2-yloxy-5-(1H-pyrazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?
2-[[5-chloro-2-[4-methyl-5-(2-methyl-1H-imidazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[4-methyl-5-(1,2-oxazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[4-methyl-2-propan-2-yloxy-5-(1H-pyrazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine has a molecular weight of 1640.22 g/mol, XLogP of 17.56, 27 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-[4-methyl-5-(2-methyl-1H-imidazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[5-chloro-2-[4-methyl-5-(1,2-oxazol-5-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-2-N-[4-methyl-2-propan-2-yloxy-5-(1H-pyrazol-5-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 161024603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).