1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-(3-piperidin-3-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;sulfane

C154H174N30O8S3 — CID 159526097

IUPAC1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-(3-piperidin-3-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;sulfane
SMILESCC1=Cc2cc(Nc3ccnc(Nc4cccc(CN5CCC(CCO)CC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(CN5CCC(O)CC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(OC5CCCNC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(OCC5CCNCC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(O[C@H]5CCN(S(C)(=O)=O)C5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(O[C@H]5CCNC5)c4)n3)ccc2C1.S.S
InChIInChI=1S/C28H33N5O.2C26H29N5O.C25H27N5O3S.C25H27N5O.C24H25N5O.2H2S/c1-20-15-23-5-6-26(18-24(23)16-20)30-27-7-11-29-28(32-27)31-25-4-2-3-22(17-25)19-33-12-8-21(9-13-33)10-14-34;1-18-13-20-5-6-23(15-21(20)14-18)29-25-9-12-28-26(31-25)30-22-3-2-4-24(16-22)32-17-19-7-10-27-11-8-19;1-18-13-20-5-6-23(16-21(20)14-18)28-25-7-10-27-26(30-25)29-22-4-2-3-19(15-22)17-31-11-8-24(32)9-12-31;1-17-12-18-6-7-21(14-19(18)13-17)27-24-8-10-26-25(29-24)28-20-4-3-5-22(15-20)33-23-9-11-30(16-23)34(2,31)32;1-17-12-18-7-8-21(14-19(18)13-17)28-24-9-11-27-25(30-24)29-20-4-2-5-22(15-20)31-23-6-3-10-26-16-23;1-16-11-17-5-6-20(13-18(17)12-16)27-23-8-10-26-24(29-23)28-19-3-2-4-21(14-19)30-22-7-9-25-15-22;;/h2-7,11,16-18,21,34H,8-10,12-15,19H2,1H3,(H2,29,30,31,32);2-6,9,12,14-16,19,27H,7-8,10-11,13,17H2,1H3,(H2,28,29,30,31);2-7,10,14-16,24,32H,8-9,11-13,17H2,1H3,(H2,27,28,29,30);3-8,10,13-15,23H,9,11-12,16H2,1-2H3,(H2,26,27,28,29);2,4-5,7-9,11,13-15,23,26H,3,6,10,12,16H2,1H3,(H2,27,28,29,30);2-6,8,10,12-14,22,25H,7,9,11,15H2,1H3,(H2,26,27,28,29);2*1H2/t;;;23-;;22-;;/m...0.0../s1
InChIKeyMCKBRGUVZPHSBF-LTFDNVRDSA-N
MW2669.49 g/mol
LogP29.98
Rot. Bonds40

About 1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-(3-piperidin-3-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;sulfane

1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-(3-piperidin-3-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;sulfane (PubChem CID 159526097) has the molecular formula C154H174N30O8S3 and a molecular weight of 2669.49 g/mol. Its IUPAC name is 1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-(3-piperidin-3-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;sulfane.

Molecular Properties

Compound Name1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-(3-piperidin-3-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;sulfane
PubChem CID159526097
Molecular FormulaC154H174N30O8S3
Molecular Weight2669.49 g/mol
Exact Mass2667.33
IUPAC Name1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-(3-piperidin-3-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;sulfane
SMILESCC1=Cc2cc(Nc3ccnc(Nc4cccc(CN5CCC(CCO)CC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(CN5CCC(O)CC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(OC5CCCNC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(OCC5CCNCC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(O[C@H]5CCN(S(C)(=O)=O)C5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(O[C@H]5CCNC5)c4)n3)ccc2C1.S.S
InChIInChI=1S/C28H33N5O.2C26H29N5O.C25H27N5O3S.C25H27N5O.C24H25N5O.2H2S/c1-20-15-23-5-6-26(18-24(23)16-20)30-27-7-11-29-28(32-27)31-25-4-2-3-22(17-25)19-33-12-8-21(9-13-33)10-14-34;1-18-13-20-5-6-23(15-21(20)14-18)29-25-9-12-28-26(31-25)30-22-3-2-4-24(16-22)32-17-19-7-10-27-11-8-19;1-18-13-20-5-6-23(16-21(20)14-18)28-25-7-10-27-26(30-25)29-22-4-2-3-19(15-22)17-31-11-8-24(32)9-12-31;1-17-12-18-6-7-21(14-19(18)13-17)27-24-8-10-26-25(29-24)28-20-4-3-5-22(15-20)33-23-9-11-30(16-23)34(2,31)32;1-17-12-18-7-8-21(14-19(18)13-17)28-24-9-11-27-25(30-24)29-20-4-2-5-22(15-20)31-23-6-3-10-26-16-23;1-16-11-17-5-6-20(13-18(17)12-16)27-23-8-10-26-24(29-23)28-19-3-2-4-21(14-19)30-22-7-9-25-15-22;;/h2-7,11,16-18,21,34H,8-10,12-15,19H2,1H3,(H2,29,30,31,32);2-6,9,12,14-16,19,27H,7-8,10-11,13,17H2,1H3,(H2,28,29,30,31);2-7,10,14-16,24,32H,8-9,11-13,17H2,1H3,(H2,27,28,29,30);3-8,10,13-15,23H,9,11-12,16H2,1-2H3,(H2,26,27,28,29);2,4-5,7-9,11,13-15,23,26H,3,6,10,12,16H2,1H3,(H2,27,28,29,30);2-6,8,10,12-14,22,25H,7,9,11,15H2,1H3,(H2,26,27,28,29);2*1H2/t;;;23-;;22-;;/m...0.0../s1
InChIKeyMCKBRGUVZPHSBF-LTFDNVRDSA-N
XLogP29.98
TPSA456.37 Ų
H-Bond Donors17
H-Bond Acceptors37
Rotatable Bonds40
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002669.49
LogP ≤ 529.98
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1037

Analyze 1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-(3-piperidin-3-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;sulfane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-(3-piperidin-3-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;sulfane?
The IUPAC name of 1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-(3-piperidin-3-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;sulfane (CID 159526097) is 1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-(3-piperidin-3-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;sulfane.
What is the SMILES notation for 1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-(3-piperidin-3-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;sulfane?
The canonical SMILES for 1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-(3-piperidin-3-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;sulfane is CC1=Cc2cc(Nc3ccnc(Nc4cccc(CN5CCC(CCO)CC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(CN5CCC(O)CC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(OC5CCCNC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(OCC5CCNCC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(O[C@H]5CCN(S(C)(=O)=O)C5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(O[C@H]5CCNC5)c4)n3)ccc2C1.S.S.
What is the InChIKey of 1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-(3-piperidin-3-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;sulfane?
The InChIKey is MCKBRGUVZPHSBF-LTFDNVRDSA-N. The full InChI is InChI=1S/C28H33N5O.2C26H29N5O.C25H27N5O3S.C25H27N5O.C24H25N5O.2H2S/c1-20-15-23-5-6-26(18-24(23)16-20)30-27-7-11-29-28(32-27)31-25-4-2-3-22(17-25)19-33-12-8-21(9-13-33)10-14-34;1-18-13-20-5-6-23(15-21(20)14-18)29-25-9-12-28-26(31-25)30-22-3-2-4-24(16-22)32-17-19-7-10-27-11-8-19;1-18-13-20-5-6-23(16-21(20)14-18)28-25-7-10-27-26(30-25)29-22-4-2-3-19(15-22)17-31-11-8-24(32)9-12-31;1-17-12-18-6-7-21(14-19(18)13-17)27-24-8-10-26-25(29-24)28-20-4-3-5-22(15-20)33-23-9-11-30(16-23)34(2,31)32;1-17-12-18-7-8-21(14-19(18)13-17)28-24-9-11-27-25(30-24)29-20-4-2-5-22(15-20)31-23-6-3-10-26-16-23;1-16-11-17-5-6-20(13-18(17)12-16)27-23-8-10-26-24(29-23)28-19-3-2-4-21(14-19)30-22-7-9-25-15-22;;/h2-7,11,16-18,21,34H,8-10,12-15,19H2,1H3,(H2,29,30,31,32);2-6,9,12,14-16,19,27H,7-8,10-11,13,17H2,1H3,(H2,28,29,30,31);2-7,10,14-16,24,32H,8-9,11-13,17H2,1H3,(H2,27,28,29,30);3-8,10,13-15,23H,9,11-12,16H2,1-2H3,(H2,26,27,28,29);2,4-5,7-9,11,13-15,23,26H,3,6,10,12,16H2,1H3,(H2,27,28,29,30);2-6,8,10,12-14,22,25H,7,9,11,15H2,1H3,(H2,26,27,28,29);2*1H2/t;;;23-;;22-;;/m...0.0../s1.
What are the key properties of 1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-(3-piperidin-3-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;sulfane?
1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-(3-piperidin-3-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;sulfane has a molecular weight of 2669.49 g/mol, XLogP of 29.98, 40 rotatable bonds, 17 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-(3-piperidin-3-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidine-2,4-diamine;sulfane is sourced from PubChem (CID 159526097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).