(2S)-2-[[2-amino-5-[3-(1,3-benzodioxol-5-yl)propoxy]pyrimidin-4-yl]amino]pentan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]hexan-1-ol;(2S)-2-[[2-amino-5-[(6-methyl-2-pyridinyl)methoxy]pyrimidin-4-yl]amino]hexan-1-ol;sulfane

C73H109N21O10S4 — CID 159892479

IUPAC(2S)-2-[[2-amino-5-[3-(1,3-benzodioxol-5-yl)propoxy]pyrimidin-4-yl]amino]pentan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]hexan-1-ol;(2S)-2-[[2-amino-5-[(6-methyl-2-pyridinyl)methoxy]pyrimidin-4-yl]amino]hexan-1-ol;sulfane
SMILESCCCC[C@@H](CCO)Nc1nc(N)ncc1OCc1cn2ccccc2n1.CCCC[C@@H](CO)Nc1nc(N)ncc1OCc1cccc(C)n1.CCC[C@@H](CCO)Nc1nc(N)ncc1OCc1cn2ccccc2n1.CCC[C@@H](CO)Nc1nc(N)ncc1OCCCc1ccc2c(c1)OCO2.S.S.S.S
InChIInChI=1S/C19H26N6O2.C19H26N4O4.C18H24N6O2.C17H25N5O2.4H2S/c1-2-3-6-14(8-10-26)23-18-16(11-21-19(20)24-18)27-13-15-12-25-9-5-4-7-17(25)22-15;1-2-4-14(11-24)22-18-17(10-21-19(20)23-18)25-8-3-5-13-6-7-15-16(9-13)27-12-26-15;1-2-5-13(7-9-25)22-17-15(10-20-18(19)23-17)26-12-14-11-24-8-4-3-6-16(24)21-14;1-3-4-7-13(10-23)21-16-15(9-19-17(18)22-16)24-11-14-8-5-6-12(2)20-14;;;;/h4-5,7,9,11-12,14,26H,2-3,6,8,10,13H2,1H3,(H3,20,21,23,24);6-7,9-10,14,24H,2-5,8,11-12H2,1H3,(H3,20,21,22,23);3-4,6,8,10-11,13,25H,2,5,7,9,12H2,1H3,(H3,19,20,22,23);5-6,8-9,13,23H,3-4,7,10-11H2,1-2H3,(H3,18,19,21,22);4*1H2/t2*14-;2*13-;;;;/m0000..../s1
InChIKeyNUXXJBTZGDKCHG-AEOBPQANSA-N
MW1569.08 g/mol
LogP10.01
Rot. Bonds38

About (2S)-2-[[2-amino-5-[3-(1,3-benzodioxol-5-yl)propoxy]pyrimidin-4-yl]amino]pentan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]hexan-1-ol;(2S)-2-[[2-amino-5-[(6-methyl-2-pyridinyl)methoxy]pyrimidin-4-yl]amino]hexan-1-ol;sulfane

(2S)-2-[[2-amino-5-[3-(1,3-benzodioxol-5-yl)propoxy]pyrimidin-4-yl]amino]pentan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]hexan-1-ol;(2S)-2-[[2-amino-5-[(6-methyl-2-pyridinyl)methoxy]pyrimidin-4-yl]amino]hexan-1-ol;sulfane (PubChem CID 159892479) has the molecular formula C73H109N21O10S4 and a molecular weight of 1569.08 g/mol. Its IUPAC name is (2S)-2-[[2-amino-5-[3-(1,3-benzodioxol-5-yl)propoxy]pyrimidin-4-yl]amino]pentan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]hexan-1-ol;(2S)-2-[[2-amino-5-[(6-methyl-2-pyridinyl)methoxy]pyrimidin-4-yl]amino]hexan-1-ol;sulfane.

Molecular Properties

Compound Name(2S)-2-[[2-amino-5-[3-(1,3-benzodioxol-5-yl)propoxy]pyrimidin-4-yl]amino]pentan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]hexan-1-ol;(2S)-2-[[2-amino-5-[(6-methyl-2-pyridinyl)methoxy]pyrimidin-4-yl]amino]hexan-1-ol;sulfane
PubChem CID159892479
Molecular FormulaC73H109N21O10S4
Molecular Weight1569.08 g/mol
Exact Mass1567.75
IUPAC Name(2S)-2-[[2-amino-5-[3-(1,3-benzodioxol-5-yl)propoxy]pyrimidin-4-yl]amino]pentan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]hexan-1-ol;(2S)-2-[[2-amino-5-[(6-methyl-2-pyridinyl)methoxy]pyrimidin-4-yl]amino]hexan-1-ol;sulfane
SMILESCCCC[C@@H](CCO)Nc1nc(N)ncc1OCc1cn2ccccc2n1.CCCC[C@@H](CO)Nc1nc(N)ncc1OCc1cccc(C)n1.CCC[C@@H](CCO)Nc1nc(N)ncc1OCc1cn2ccccc2n1.CCC[C@@H](CO)Nc1nc(N)ncc1OCCCc1ccc2c(c1)OCO2.S.S.S.S
InChIInChI=1S/C19H26N6O2.C19H26N4O4.C18H24N6O2.C17H25N5O2.4H2S/c1-2-3-6-14(8-10-26)23-18-16(11-21-19(20)24-18)27-13-15-12-25-9-5-4-7-17(25)22-15;1-2-4-14(11-24)22-18-17(10-21-19(20)23-18)25-8-3-5-13-6-7-15-16(9-13)27-12-26-15;1-2-5-13(7-9-25)22-17-15(10-20-18(19)23-17)26-12-14-11-24-8-4-3-6-16(24)21-14;1-3-4-7-13(10-23)21-16-15(9-19-17(18)22-16)24-11-14-8-5-6-12(2)20-14;;;;/h4-5,7,9,11-12,14,26H,2-3,6,8,10,13H2,1H3,(H3,20,21,23,24);6-7,9-10,14,24H,2-5,8,11-12H2,1H3,(H3,20,21,22,23);3-4,6,8,10-11,13,25H,2,5,7,9,12H2,1H3,(H3,19,20,22,23);5-6,8-9,13,23H,3-4,7,10-11H2,1-2H3,(H3,18,19,21,22);4*1H2/t2*14-;2*13-;;;;/m0000..../s1
InChIKeyNUXXJBTZGDKCHG-AEOBPQANSA-N
XLogP10.01
TPSA439.11 Ų
H-Bond Donors12
H-Bond Acceptors31
Rotatable Bonds38
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001569.08
LogP ≤ 510.01
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze (2S)-2-[[2-amino-5-[3-(1,3-benzodioxol-5-yl)propoxy]pyrimidin-4-yl]amino]pentan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]hexan-1-ol;(2S)-2-[[2-amino-5-[(6-methyl-2-pyridinyl)methoxy]pyrimidin-4-yl]amino]hexan-1-ol;sulfane with MolForge

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Related Compounds

(2S)-2-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]pentan-1-ol;sulfane
CID 157246122
(2S)-2-[[5-[3-(1,3-benzodioxol-5-yl)propoxy]-2-methylpyrimidin-4-yl]amino]hexan-1-ol
CID 135252928
3-[[2-amino-5-[3-(4-ethylphenyl)propoxy]pyrimidin-4-yl]amino]hexan-1-ol
CID 135229069
(2S)-2-[[2-amino-5-[3-(4-methoxyphenyl)propoxy]pyrimidin-4-yl]amino]pentan-1-ol
CID 70856449
(3S)-3-[[2-amino-5-(quinolin-2-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;sulfane
CID 157247821
(2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol
CID 70856450
(3S)-3-[[2-amino-5-[(2,5-dimethylpyrazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol
CID 70856096
(3R)-3-[[2-amino-5-(2-propan-2-yloxyethoxy)pyrimidin-4-yl]amino]heptan-1-ol
CID 130353425
3-[[2-amino-5-[(1-methylindazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol
CID 123278214
(2S)-2-[[2-amino-5-[(3-methoxy-2,4-dimethylphenyl)methoxy]pyrimidin-4-yl]amino]pentan-1-ol;sulfane
CID 160692279
(3S)-3-[[2-ethenyl-5-(isoquinolin-3-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol
CID 134569189
2-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111843735

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-amino-5-[3-(1,3-benzodioxol-5-yl)propoxy]pyrimidin-4-yl]amino]pentan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]hexan-1-ol;(2S)-2-[[2-amino-5-[(6-methyl-2-pyridinyl)methoxy]pyrimidin-4-yl]amino]hexan-1-ol;sulfane?
The IUPAC name of (2S)-2-[[2-amino-5-[3-(1,3-benzodioxol-5-yl)propoxy]pyrimidin-4-yl]amino]pentan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]hexan-1-ol;(2S)-2-[[2-amino-5-[(6-methyl-2-pyridinyl)methoxy]pyrimidin-4-yl]amino]hexan-1-ol;sulfane (CID 159892479) is (2S)-2-[[2-amino-5-[3-(1,3-benzodioxol-5-yl)propoxy]pyrimidin-4-yl]amino]pentan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]hexan-1-ol;(2S)-2-[[2-amino-5-[(6-methyl-2-pyridinyl)methoxy]pyrimidin-4-yl]amino]hexan-1-ol;sulfane.
What is the SMILES notation for (2S)-2-[[2-amino-5-[3-(1,3-benzodioxol-5-yl)propoxy]pyrimidin-4-yl]amino]pentan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]hexan-1-ol;(2S)-2-[[2-amino-5-[(6-methyl-2-pyridinyl)methoxy]pyrimidin-4-yl]amino]hexan-1-ol;sulfane?
The canonical SMILES for (2S)-2-[[2-amino-5-[3-(1,3-benzodioxol-5-yl)propoxy]pyrimidin-4-yl]amino]pentan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]hexan-1-ol;(2S)-2-[[2-amino-5-[(6-methyl-2-pyridinyl)methoxy]pyrimidin-4-yl]amino]hexan-1-ol;sulfane is CCCC[C@@H](CCO)Nc1nc(N)ncc1OCc1cn2ccccc2n1.CCCC[C@@H](CO)Nc1nc(N)ncc1OCc1cccc(C)n1.CCC[C@@H](CCO)Nc1nc(N)ncc1OCc1cn2ccccc2n1.CCC[C@@H](CO)Nc1nc(N)ncc1OCCCc1ccc2c(c1)OCO2.S.S.S.S.
What is the InChIKey of (2S)-2-[[2-amino-5-[3-(1,3-benzodioxol-5-yl)propoxy]pyrimidin-4-yl]amino]pentan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]hexan-1-ol;(2S)-2-[[2-amino-5-[(6-methyl-2-pyridinyl)methoxy]pyrimidin-4-yl]amino]hexan-1-ol;sulfane?
The InChIKey is NUXXJBTZGDKCHG-AEOBPQANSA-N. The full InChI is InChI=1S/C19H26N6O2.C19H26N4O4.C18H24N6O2.C17H25N5O2.4H2S/c1-2-3-6-14(8-10-26)23-18-16(11-21-19(20)24-18)27-13-15-12-25-9-5-4-7-17(25)22-15;1-2-4-14(11-24)22-18-17(10-21-19(20)23-18)25-8-3-5-13-6-7-15-16(9-13)27-12-26-15;1-2-5-13(7-9-25)22-17-15(10-20-18(19)23-17)26-12-14-11-24-8-4-3-6-16(24)21-14;1-3-4-7-13(10-23)21-16-15(9-19-17(18)22-16)24-11-14-8-5-6-12(2)20-14;;;;/h4-5,7,9,11-12,14,26H,2-3,6,8,10,13H2,1H3,(H3,20,21,23,24);6-7,9-10,14,24H,2-5,8,11-12H2,1H3,(H3,20,21,22,23);3-4,6,8,10-11,13,25H,2,5,7,9,12H2,1H3,(H3,19,20,22,23);5-6,8-9,13,23H,3-4,7,10-11H2,1-2H3,(H3,18,19,21,22);4*1H2/t2*14-;2*13-;;;;/m0000..../s1.
What are the key properties of (2S)-2-[[2-amino-5-[3-(1,3-benzodioxol-5-yl)propoxy]pyrimidin-4-yl]amino]pentan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]hexan-1-ol;(2S)-2-[[2-amino-5-[(6-methyl-2-pyridinyl)methoxy]pyrimidin-4-yl]amino]hexan-1-ol;sulfane?
(2S)-2-[[2-amino-5-[3-(1,3-benzodioxol-5-yl)propoxy]pyrimidin-4-yl]amino]pentan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]hexan-1-ol;(2S)-2-[[2-amino-5-[(6-methyl-2-pyridinyl)methoxy]pyrimidin-4-yl]amino]hexan-1-ol;sulfane has a molecular weight of 1569.08 g/mol, XLogP of 10.01, 38 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-amino-5-[3-(1,3-benzodioxol-5-yl)propoxy]pyrimidin-4-yl]amino]pentan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;(3S)-3-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]hexan-1-ol;(2S)-2-[[2-amino-5-[(6-methyl-2-pyridinyl)methoxy]pyrimidin-4-yl]amino]hexan-1-ol;sulfane is sourced from PubChem (CID 159892479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).