5-chloro-2-N-[4-(1,1-dioxothiolan-3-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-5-methyl-4-[1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]piperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

C92H105Cl4F3N28O4S2 — CID 158180192

IUPAC5-chloro-2-N-[4-(1,1-dioxothiolan-3-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-5-methyl-4-[1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]piperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(Cc2nc(Cc3cc(C)c(C4CCN([C@H]5CCN(S(C)(=O)=O)C5)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4=CCNCC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(Cc5cncnc5)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCS(=O)(=O)C4)cc3C)ncc2Cl)n[nH]1
InChIInChI=1S/C27H34ClFN6O2S.C25H27ClFN9.C20H21ClFN7.C20H23ClN6O2S/c1-17-10-20(12-27-30-15-24(28)26(31-27)13-21-11-18(2)32-33-21)25(29)14-23(17)19-4-7-34(8-5-19)22-6-9-35(16-22)38(3,36)37;1-15-7-22(31-25-30-12-20(26)24(33-25)32-23-8-16(2)34-35-23)21(27)9-19(15)18-3-5-36(6-4-18)13-17-10-28-14-29-11-17;1-11-7-17(16(22)9-14(11)13-3-5-23-6-4-13)25-20-24-10-15(21)19(27-20)26-18-8-12(2)28-29-18;1-11-7-17(12(2)6-15(11)14-4-5-30(28,29)10-14)23-20-22-9-16(21)19(25-20)24-18-8-13(3)26-27-18/h10-11,14-15,19,22H,4-9,12-13,16H2,1-3H3,(H,32,33);7-12,14,18H,3-6,13H2,1-2H3,(H3,30,31,32,33,34,35);3,7-10,23H,4-6H2,1-2H3,(H3,24,25,26,27,28,29);6-9,14H,4-5,10H2,1-3H3,(H3,22,23,24,25,26,27)/t22-;;;/m0.../s1
InChIKeyFYMKALZWLCXADX-NNUMAELLSA-N
MW1929.98 g/mol
LogP17.91
Rot. Bonds24

About 5-chloro-2-N-[4-(1,1-dioxothiolan-3-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-5-methyl-4-[1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]piperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

5-chloro-2-N-[4-(1,1-dioxothiolan-3-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-5-methyl-4-[1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]piperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 158180192) has the molecular formula C92H105Cl4F3N28O4S2 and a molecular weight of 1929.98 g/mol. Its IUPAC name is 5-chloro-2-N-[4-(1,1-dioxothiolan-3-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-5-methyl-4-[1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]piperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-[4-(1,1-dioxothiolan-3-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-5-methyl-4-[1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]piperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID158180192
Molecular FormulaC92H105Cl4F3N28O4S2
Molecular Weight1929.98 g/mol
Exact Mass1926.70
IUPAC Name5-chloro-2-N-[4-(1,1-dioxothiolan-3-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-5-methyl-4-[1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]piperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(Cc2nc(Cc3cc(C)c(C4CCN([C@H]5CCN(S(C)(=O)=O)C5)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4=CCNCC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(Cc5cncnc5)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCS(=O)(=O)C4)cc3C)ncc2Cl)n[nH]1
InChIInChI=1S/C27H34ClFN6O2S.C25H27ClFN9.C20H21ClFN7.C20H23ClN6O2S/c1-17-10-20(12-27-30-15-24(28)26(31-27)13-21-11-18(2)32-33-21)25(29)14-23(17)19-4-7-34(8-5-19)22-6-9-35(16-22)38(3,36)37;1-15-7-22(31-25-30-12-20(26)24(33-25)32-23-8-16(2)34-35-23)21(27)9-19(15)18-3-5-36(6-4-18)13-17-10-28-14-29-11-17;1-11-7-17(16(22)9-14(11)13-3-5-23-6-4-13)25-20-24-10-15(21)19(27-20)26-18-8-12(2)28-29-18;1-11-7-17(12(2)6-15(11)14-4-5-30(28,29)10-14)23-20-22-9-16(21)19(25-20)24-18-8-13(3)26-27-18/h10-11,14-15,19,22H,4-9,12-13,16H2,1-3H3,(H,32,33);7-12,14,18H,3-6,13H2,1-2H3,(H3,30,31,32,33,34,35);3,7-10,23H,4-6H2,1-2H3,(H3,24,25,26,27,28,29);6-9,14H,4-5,10H2,1-3H3,(H3,22,23,24,25,26,27)/t22-;;;/m0.../s1
InChIKeyFYMKALZWLCXADX-NNUMAELLSA-N
XLogP17.91
TPSA405.83 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001929.98
LogP ≤ 517.91
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

Analyze 5-chloro-2-N-[4-(1,1-dioxothiolan-3-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-5-methyl-4-[1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]piperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

5-chloro-2-[[5-chloro-4-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-2-methylphenyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-chloro-2-N-[2,5-dimethyl-4-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[(3S)-morpholin-3-yl]methanone
CID 160703025
5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 58255001
3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2-fluoro-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 158970156
5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 58254950
5-chloro-2-N-[2,5-dimethyl-4-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 58255060
2-(azetidin-1-yl)-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanone
CID 58255085
5-chloro-2-[[2-fluoro-5-methyl-4-[(2S,4S)-2-methylpiperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine
CID 58254992
4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]cyclohexan-1-ol
CID 44621649
5-chloro-2-N-[4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 58255081
1-[3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]sulfonylpropyl]pyrrolidin-3-ol
CID 76747281
2-N-[4-[1-[2-(azetidin-1-ylsulfonyl)ethyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[2,5-dimethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]ethanol;2-N-[4-(1-ethylpiperidin-4-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 158445607
2-(aminomethyl)-3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-3-oxopropanal
CID 89112726

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-[4-(1,1-dioxothiolan-3-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-5-methyl-4-[1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]piperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-[4-(1,1-dioxothiolan-3-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-5-methyl-4-[1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]piperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (CID 158180192) is 5-chloro-2-N-[4-(1,1-dioxothiolan-3-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-5-methyl-4-[1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]piperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-[4-(1,1-dioxothiolan-3-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-5-methyl-4-[1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]piperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-[4-(1,1-dioxothiolan-3-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-5-methyl-4-[1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]piperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is Cc1cc(Cc2nc(Cc3cc(C)c(C4CCN([C@H]5CCN(S(C)(=O)=O)C5)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4=CCNCC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(Cc5cncnc5)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCS(=O)(=O)C4)cc3C)ncc2Cl)n[nH]1.
What is the InChIKey of 5-chloro-2-N-[4-(1,1-dioxothiolan-3-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-5-methyl-4-[1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]piperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is FYMKALZWLCXADX-NNUMAELLSA-N. The full InChI is InChI=1S/C27H34ClFN6O2S.C25H27ClFN9.C20H21ClFN7.C20H23ClN6O2S/c1-17-10-20(12-27-30-15-24(28)26(31-27)13-21-11-18(2)32-33-21)25(29)14-23(17)19-4-7-34(8-5-19)22-6-9-35(16-22)38(3,36)37;1-15-7-22(31-25-30-12-20(26)24(33-25)32-23-8-16(2)34-35-23)21(27)9-19(15)18-3-5-36(6-4-18)13-17-10-28-14-29-11-17;1-11-7-17(16(22)9-14(11)13-3-5-23-6-4-13)25-20-24-10-15(21)19(27-20)26-18-8-12(2)28-29-18;1-11-7-17(12(2)6-15(11)14-4-5-30(28,29)10-14)23-20-22-9-16(21)19(25-20)24-18-8-13(3)26-27-18/h10-11,14-15,19,22H,4-9,12-13,16H2,1-3H3,(H,32,33);7-12,14,18H,3-6,13H2,1-2H3,(H3,30,31,32,33,34,35);3,7-10,23H,4-6H2,1-2H3,(H3,24,25,26,27,28,29);6-9,14H,4-5,10H2,1-3H3,(H3,22,23,24,25,26,27)/t22-;;;/m0.../s1.
What are the key properties of 5-chloro-2-N-[4-(1,1-dioxothiolan-3-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-5-methyl-4-[1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]piperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
5-chloro-2-N-[4-(1,1-dioxothiolan-3-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-5-methyl-4-[1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]piperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 1929.98 g/mol, XLogP of 17.91, 24 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-[4-(1,1-dioxothiolan-3-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-5-methyl-4-[1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]piperidin-4-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 158180192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).