6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyridine-3-carboxamide;2-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyrimidine-4-carboxamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(2-methoxyethyl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine

C133H148Cl6N30O16S4 — CID 157412885

IUPAC6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyridine-3-carboxamide;2-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyrimidine-4-carboxamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(2-methoxyethyl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCOCCNS(=O)(=O)c1ccc(CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(S(=O)(=O)NC3CCOCC3)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(S(=O)(=O)NC3COC3)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCOc2ccc(C(N)=O)cn2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCOc2nccc(C(N)=O)n2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc(N)n1
InChIInChI=1S/C25H29ClN4O3S.C23H26ClN5O3S.C23H25ClN4O3S.C23H27ClN4O3S.C20H21ClN6O2.C19H20ClN7O2/c1-17-22(6-3-7-23(17)26)24-16-20(28-25(27)29-24)5-2-4-18-8-10-21(11-9-18)34(31,32)30-19-12-14-33-15-13-19;1-16-19(3-2-4-20(16)24)21-15-22(28-23(25)27-21)26-10-9-17-5-7-18(8-6-17)33(30,31)29-11-13-32-14-12-29;1-15-20(6-3-7-21(15)24)22-12-17(26-23(25)27-22)5-2-4-16-8-10-19(11-9-16)32(29,30)28-18-13-31-14-18;1-16-20(7-4-8-21(16)24)22-15-18(27-23(25)28-22)6-3-5-17-9-11-19(12-10-17)32(29,30)26-13-14-31-2;1-12-14(4-2-5-15(12)21)16-10-17(27-20(23)26-16)24-8-3-9-29-18-7-6-13(11-25-18)19(22)28;1-11-12(4-2-5-13(11)20)15-10-16(27-18(22)25-15)23-7-3-9-29-19-24-8-6-14(26-19)17(21)28/h3,6-11,16,19,30H,2,4-5,12-15H2,1H3,(H2,27,28,29);2-8,15H,9-14H2,1H3,(H3,25,26,27,28);3,6-12,18,28H,2,4-5,13-14H2,1H3,(H2,25,26,27);4,7-12,15,26H,3,5-6,13-14H2,1-2H3,(H2,25,27,28);2,4-7,10-11H,3,8-9H2,1H3,(H2,22,28)(H3,23,24,26,27);2,4-6,8,10H,3,7,9H2,1H3,(H2,21,28)(H3,22,23,25,27)
InChIKeyBOMMAIVVNIOQHX-UHFFFAOYSA-N
MW2763.83 g/mol
LogP20.53
Rot. Bonds49

About 6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyridine-3-carboxamide;2-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyrimidine-4-carboxamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(2-methoxyethyl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine

6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyridine-3-carboxamide;2-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyrimidine-4-carboxamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(2-methoxyethyl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 157412885) has the molecular formula C133H148Cl6N30O16S4 and a molecular weight of 2763.83 g/mol. Its IUPAC name is 6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyridine-3-carboxamide;2-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyrimidine-4-carboxamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(2-methoxyethyl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyridine-3-carboxamide;2-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyrimidine-4-carboxamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(2-methoxyethyl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID157412885
Molecular FormulaC133H148Cl6N30O16S4
Molecular Weight2763.83 g/mol
Exact Mass2758.87
IUPAC Name6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyridine-3-carboxamide;2-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyrimidine-4-carboxamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(2-methoxyethyl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCOCCNS(=O)(=O)c1ccc(CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(S(=O)(=O)NC3CCOCC3)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(S(=O)(=O)NC3COC3)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCOc2ccc(C(N)=O)cn2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCOc2nccc(C(N)=O)n2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc(N)n1
InChIInChI=1S/C25H29ClN4O3S.C23H26ClN5O3S.C23H25ClN4O3S.C23H27ClN4O3S.C20H21ClN6O2.C19H20ClN7O2/c1-17-22(6-3-7-23(17)26)24-16-20(28-25(27)29-24)5-2-4-18-8-10-21(11-9-18)34(31,32)30-19-12-14-33-15-13-19;1-16-19(3-2-4-20(16)24)21-15-22(28-23(25)27-21)26-10-9-17-5-7-18(8-6-17)33(30,31)29-11-13-32-14-12-29;1-15-20(6-3-7-21(15)24)22-12-17(26-23(25)27-22)5-2-4-16-8-10-19(11-9-16)32(29,30)28-18-13-31-14-18;1-16-20(7-4-8-21(16)24)22-15-18(27-23(25)28-22)6-3-5-17-9-11-19(12-10-17)32(29,30)26-13-14-31-2;1-12-14(4-2-5-15(12)21)16-10-17(27-20(23)26-16)24-8-3-9-29-18-7-6-13(11-25-18)19(22)28;1-11-12(4-2-5-13(11)20)15-10-16(27-18(22)25-15)23-7-3-9-29-19-24-8-6-14(26-19)17(21)28/h3,6-11,16,19,30H,2,4-5,12-15H2,1H3,(H2,27,28,29);2-8,15H,9-14H2,1H3,(H3,25,26,27,28);3,6-12,18,28H,2,4-5,13-14H2,1H3,(H2,25,26,27);4,7-12,15,26H,3,5-6,13-14H2,1-2H3,(H2,25,27,28);2,4-7,10-11H,3,8-9H2,1H3,(H2,22,28)(H3,23,24,26,27);2,4-6,8,10H,3,7,9H2,1H3,(H2,21,28)(H3,22,23,25,27)
InChIKeyBOMMAIVVNIOQHX-UHFFFAOYSA-N
XLogP20.53
TPSA703.01 Ų
H-Bond Donors14
H-Bond Acceptors40
Rotatable Bonds49
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002763.83
LogP ≤ 520.53
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyridine-3-carboxamide;2-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyrimidine-4-carboxamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(2-methoxyethyl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-[(1S,2S)-2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]cyclopropyl]benzenesulfonamide;2-[3-[2-amino-6-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]phenoxy]acetamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrimidine-4-carboxamide;6-(2,3-dimethylphenyl)-4-N-(3-pyrazin-2-ylpropyl)pyrimidine-2,4-diamine;4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-2,4-diamine
CID 157160095
7-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]-1-(4-methylsulfanylphenyl)heptan-2-one;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-N-methylpyridine-3-sulfonamide;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-carboxamide;6-[5-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]pentyl]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine
CID 157796915
4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine
CID 158241815
2-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfanyl]pyrimidine-4-carboxamide;4-N-(3-bromo-3,3-difluoropropyl)-6-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(3,3-difluoroprop-2-enyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(4-methylsulfonylphenyl)methylsulfanyl]ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(2-phenylethylsulfanyl)ethyl]pyrimidine-2,4-diamine
CID 158532877
6-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine
CID 160637984
6-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-hydroxypropyl]benzenesulfonamide;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]pyrimidine-2,4-diamine
CID 161083417
4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyridine-3-carboxamide;2-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyrimidine-4-carboxamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(2-methoxyethyl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-methylsulfonylphenoxy)propyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-[4-(oxan-4-ylsulfonyl)phenyl]ethyl]pyrimidine-2,4-diamine
CID 172923156
4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyridine-3-carboxamide;2-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyrimidine-4-carboxamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(2-methoxyethyl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-methylsulfonylphenoxy)propyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine
CID 172931055

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyridine-3-carboxamide;2-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyrimidine-4-carboxamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(2-methoxyethyl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyridine-3-carboxamide;2-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyrimidine-4-carboxamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(2-methoxyethyl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine (CID 157412885) is 6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyridine-3-carboxamide;2-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyrimidine-4-carboxamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(2-methoxyethyl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyridine-3-carboxamide;2-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyrimidine-4-carboxamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(2-methoxyethyl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyridine-3-carboxamide;2-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyrimidine-4-carboxamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(2-methoxyethyl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine is COCCNS(=O)(=O)c1ccc(CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(S(=O)(=O)NC3CCOCC3)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(S(=O)(=O)NC3COC3)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCOc2ccc(C(N)=O)cn2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCOc2nccc(C(N)=O)n2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc(N)n1.
What is the InChIKey of 6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyridine-3-carboxamide;2-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyrimidine-4-carboxamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(2-methoxyethyl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is BOMMAIVVNIOQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O3S.C23H26ClN5O3S.C23H25ClN4O3S.C23H27ClN4O3S.C20H21ClN6O2.C19H20ClN7O2/c1-17-22(6-3-7-23(17)26)24-16-20(28-25(27)29-24)5-2-4-18-8-10-21(11-9-18)34(31,32)30-19-12-14-33-15-13-19;1-16-19(3-2-4-20(16)24)21-15-22(28-23(25)27-21)26-10-9-17-5-7-18(8-6-17)33(30,31)29-11-13-32-14-12-29;1-15-20(6-3-7-21(15)24)22-12-17(26-23(25)27-22)5-2-4-16-8-10-19(11-9-16)32(29,30)28-18-13-31-14-18;1-16-20(7-4-8-21(16)24)22-15-18(27-23(25)28-22)6-3-5-17-9-11-19(12-10-17)32(29,30)26-13-14-31-2;1-12-14(4-2-5-15(12)21)16-10-17(27-20(23)26-16)24-8-3-9-29-18-7-6-13(11-25-18)19(22)28;1-11-12(4-2-5-13(11)20)15-10-16(27-18(22)25-15)23-7-3-9-29-19-24-8-6-14(26-19)17(21)28/h3,6-11,16,19,30H,2,4-5,12-15H2,1H3,(H2,27,28,29);2-8,15H,9-14H2,1H3,(H3,25,26,27,28);3,6-12,18,28H,2,4-5,13-14H2,1H3,(H2,25,26,27);4,7-12,15,26H,3,5-6,13-14H2,1-2H3,(H2,25,27,28);2,4-7,10-11H,3,8-9H2,1H3,(H2,22,28)(H3,23,24,26,27);2,4-6,8,10H,3,7,9H2,1H3,(H2,21,28)(H3,22,23,25,27).
What are the key properties of 6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyridine-3-carboxamide;2-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyrimidine-4-carboxamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(2-methoxyethyl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine?
6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyridine-3-carboxamide;2-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyrimidine-4-carboxamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(2-methoxyethyl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 2763.83 g/mol, XLogP of 20.53, 49 rotatable bonds, 14 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyridine-3-carboxamide;2-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyrimidine-4-carboxamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(2-methoxyethyl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 157412885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).