cis-(1R,3S)-3-[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclopentan-1-amine;cis-(1R,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(3S)-1-methyl-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;4-[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclohexan-1-ol;trans-(1S,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol

C118H136N28O13S12 — CID 159738004

IUPACcis-(1R,3S)-3-[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclopentan-1-amine;cis-(1R,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(3S)-1-methyl-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;4-[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclohexan-1-ol;trans-(1S,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol
SMILESCOc1cc(Cc2nc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c3sccc3n2)ccn1.Cc1cc(Cc2nc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c3sccc3n2)sn1.Cc1cc(Cc2nc(N[C@H]3CCC(C)(O)C3)c3sccc3n2)sn1.Cc1cc(Cc2nc(N[C@H]3CC[C@@H](O)C3)c3sccc3n2)sn1.Cc1cc(Cc2nc(N[C@H]3CC[C@H](O)C3)c3sccc3n2)sn1.Cc1cc(Cc2nc(OC3CCC(O)CC3)c3sccc3n2)sn1.Cn1cc(Cc2nc(O[C@H]3CC[C@@H](N)C3)c3sccc3n2)cn1
InChIInChI=1S/C19H22N4O4S.C17H20N4O3S2.C17H20N4OS2.C17H19N3O2S2.C16H19N5OS.2C16H18N4OS2/c1-27-15-7-10(2-4-20-15)6-14-21-12-3-5-28-18(12)19(23-14)22-13-8-11(9-24)16(25)17(13)26;1-8-4-10(26-21-8)6-13-18-11-2-3-25-16(11)17(20-13)19-12-5-9(7-22)14(23)15(12)24;1-10-7-12(24-21-10)8-14-19-13-4-6-23-15(13)16(20-14)18-11-3-5-17(2,22)9-11;1-10-8-13(24-20-10)9-15-18-14-6-7-23-16(14)17(19-15)22-12-4-2-11(21)3-5-12;1-21-9-10(8-18-21)6-14-19-13-4-5-23-15(13)16(20-14)22-12-3-2-11(17)7-12;2*1-9-6-12(23-20-9)8-14-18-13-4-5-22-15(13)16(19-14)17-10-2-3-11(21)7-10/h2-5,7,11,13,16-17,24-26H,6,8-9H2,1H3,(H,21,22,23);2-4,9,12,14-15,22-24H,5-7H2,1H3,(H,18,19,20);4,6-7,11,22H,3,5,8-9H2,1-2H3,(H,18,19,20);6-8,11-12,21H,2-5,9H2,1H3;4-5,8-9,11-12H,2-3,6-7,17H2,1H3;2*4-6,10-11,21H,2-3,7-8H2,1H3,(H,17,18,19)/t11-,13-,16-,17+;9-,12-,14-,15+;11-,17?;;11-,12+;10-,11+;10-,11-/m110.100/s1
InChIKeyNCBTTWBEZSDDTD-JDEVIGAWSA-N
MW2539.37 g/mol
LogP19.27
Rot. Bonds31

About cis-(1R,3S)-3-[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclopentan-1-amine;cis-(1R,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(3S)-1-methyl-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;4-[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclohexan-1-ol;trans-(1S,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol

cis-(1R,3S)-3-[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclopentan-1-amine;cis-(1R,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(3S)-1-methyl-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;4-[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclohexan-1-ol;trans-(1S,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol (PubChem CID 159738004) has the molecular formula C118H136N28O13S12 and a molecular weight of 2539.37 g/mol. Its IUPAC name is cis-(1R,3S)-3-[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclopentan-1-amine;cis-(1R,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(3S)-1-methyl-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;4-[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclohexan-1-ol;trans-(1S,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,3S)-3-[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclopentan-1-amine;cis-(1R,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(3S)-1-methyl-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;4-[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclohexan-1-ol;trans-(1S,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol
PubChem CID159738004
Molecular FormulaC118H136N28O13S12
Molecular Weight2539.37 g/mol
Exact Mass2536.75
IUPAC Namecis-(1R,3S)-3-[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclopentan-1-amine;cis-(1R,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(3S)-1-methyl-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;4-[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclohexan-1-ol;trans-(1S,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol
SMILESCOc1cc(Cc2nc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c3sccc3n2)ccn1.Cc1cc(Cc2nc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c3sccc3n2)sn1.Cc1cc(Cc2nc(N[C@H]3CCC(C)(O)C3)c3sccc3n2)sn1.Cc1cc(Cc2nc(N[C@H]3CC[C@@H](O)C3)c3sccc3n2)sn1.Cc1cc(Cc2nc(N[C@H]3CC[C@H](O)C3)c3sccc3n2)sn1.Cc1cc(Cc2nc(OC3CCC(O)CC3)c3sccc3n2)sn1.Cn1cc(Cc2nc(O[C@H]3CC[C@@H](N)C3)c3sccc3n2)cn1
InChIInChI=1S/C19H22N4O4S.C17H20N4O3S2.C17H20N4OS2.C17H19N3O2S2.C16H19N5OS.2C16H18N4OS2/c1-27-15-7-10(2-4-20-15)6-14-21-12-3-5-28-18(12)19(23-14)22-13-8-11(9-24)16(25)17(13)26;1-8-4-10(26-21-8)6-13-18-11-2-3-25-16(11)17(20-13)19-12-5-9(7-22)14(23)15(12)24;1-10-7-12(24-21-10)8-14-19-13-4-6-23-15(13)16(20-14)18-11-3-5-17(2,22)9-11;1-10-8-13(24-20-10)9-15-18-14-6-7-23-16(14)17(19-15)22-12-4-2-11(21)3-5-12;1-21-9-10(8-18-21)6-14-19-13-4-5-23-15(13)16(20-14)22-12-3-2-11(17)7-12;2*1-9-6-12(23-20-9)8-14-18-13-4-5-22-15(13)16(19-14)17-10-2-3-11(21)7-10/h2-5,7,11,13,16-17,24-26H,6,8-9H2,1H3,(H,21,22,23);2-4,9,12,14-15,22-24H,5-7H2,1H3,(H,18,19,20);4,6-7,11,22H,3,5,8-9H2,1-2H3,(H,18,19,20);6-8,11-12,21H,2-5,9H2,1H3;4-5,8-9,11-12H,2-3,6-7,17H2,1H3;2*4-6,10-11,21H,2-3,7-8H2,1H3,(H,17,18,19)/t11-,13-,16-,17+;9-,12-,14-,15+;11-,17?;;11-,12+;10-,11+;10-,11-/m110.100/s1
InChIKeyNCBTTWBEZSDDTD-JDEVIGAWSA-N
XLogP19.27
TPSA591.78 Ų
H-Bond Donors16
H-Bond Acceptors53
Rotatable Bonds31
Heavy Atoms171
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002539.37
LogP ≤ 519.27
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1053

Analyze cis-(1R,3S)-3-[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclopentan-1-amine;cis-(1R,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(3S)-1-methyl-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;4-[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclohexan-1-ol;trans-(1S,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclopentan-1-amine;cis-(1R,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(3S)-1-methyl-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;4-[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclohexan-1-ol;trans-(1S,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol?
The IUPAC name of cis-(1R,3S)-3-[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclopentan-1-amine;cis-(1R,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(3S)-1-methyl-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;4-[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclohexan-1-ol;trans-(1S,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol (CID 159738004) is cis-(1R,3S)-3-[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclopentan-1-amine;cis-(1R,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(3S)-1-methyl-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;4-[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclohexan-1-ol;trans-(1S,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,3S)-3-[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclopentan-1-amine;cis-(1R,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(3S)-1-methyl-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;4-[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclohexan-1-ol;trans-(1S,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol?
The canonical SMILES for cis-(1R,3S)-3-[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclopentan-1-amine;cis-(1R,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(3S)-1-methyl-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;4-[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclohexan-1-ol;trans-(1S,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol is COc1cc(Cc2nc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c3sccc3n2)ccn1.Cc1cc(Cc2nc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c3sccc3n2)sn1.Cc1cc(Cc2nc(N[C@H]3CCC(C)(O)C3)c3sccc3n2)sn1.Cc1cc(Cc2nc(N[C@H]3CC[C@@H](O)C3)c3sccc3n2)sn1.Cc1cc(Cc2nc(N[C@H]3CC[C@H](O)C3)c3sccc3n2)sn1.Cc1cc(Cc2nc(OC3CCC(O)CC3)c3sccc3n2)sn1.Cn1cc(Cc2nc(O[C@H]3CC[C@@H](N)C3)c3sccc3n2)cn1.
What is the InChIKey of cis-(1R,3S)-3-[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclopentan-1-amine;cis-(1R,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(3S)-1-methyl-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;4-[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclohexan-1-ol;trans-(1S,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol?
The InChIKey is NCBTTWBEZSDDTD-JDEVIGAWSA-N. The full InChI is InChI=1S/C19H22N4O4S.C17H20N4O3S2.C17H20N4OS2.C17H19N3O2S2.C16H19N5OS.2C16H18N4OS2/c1-27-15-7-10(2-4-20-15)6-14-21-12-3-5-28-18(12)19(23-14)22-13-8-11(9-24)16(25)17(13)26;1-8-4-10(26-21-8)6-13-18-11-2-3-25-16(11)17(20-13)19-12-5-9(7-22)14(23)15(12)24;1-10-7-12(24-21-10)8-14-19-13-4-6-23-15(13)16(20-14)18-11-3-5-17(2,22)9-11;1-10-8-13(24-20-10)9-15-18-14-6-7-23-16(14)17(19-15)22-12-4-2-11(21)3-5-12;1-21-9-10(8-18-21)6-14-19-13-4-5-23-15(13)16(20-14)22-12-3-2-11(17)7-12;2*1-9-6-12(23-20-9)8-14-18-13-4-5-22-15(13)16(19-14)17-10-2-3-11(21)7-10/h2-5,7,11,13,16-17,24-26H,6,8-9H2,1H3,(H,21,22,23);2-4,9,12,14-15,22-24H,5-7H2,1H3,(H,18,19,20);4,6-7,11,22H,3,5,8-9H2,1-2H3,(H,18,19,20);6-8,11-12,21H,2-5,9H2,1H3;4-5,8-9,11-12H,2-3,6-7,17H2,1H3;2*4-6,10-11,21H,2-3,7-8H2,1H3,(H,17,18,19)/t11-,13-,16-,17+;9-,12-,14-,15+;11-,17?;;11-,12+;10-,11+;10-,11-/m110.100/s1.
What are the key properties of cis-(1R,3S)-3-[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclopentan-1-amine;cis-(1R,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(3S)-1-methyl-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;4-[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclohexan-1-ol;trans-(1S,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol?
cis-(1R,3S)-3-[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclopentan-1-amine;cis-(1R,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(3S)-1-methyl-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;4-[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclohexan-1-ol;trans-(1S,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol has a molecular weight of 2539.37 g/mol, XLogP of 19.27, 31 rotatable bonds, 16 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclopentan-1-amine;cis-(1R,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(3S)-1-methyl-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;4-[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclohexan-1-ol;trans-(1S,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 159738004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).