(6R)-2-amino-6-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;tert-butyl-chloro-dimethylsilane;(6R)-5,8-diacetyl-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6,7-dihydro-3H-pteridin-4-one

C49H92ClN15O11Si3 — CID 157434976

IUPAC(6R)-2-amino-6-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;tert-butyl-chloro-dimethylsilane;(6R)-5,8-diacetyl-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6,7-dihydro-3H-pteridin-4-one
SMILESCC(=O)N1C[C@H]([C@@H](O)[C@H](C)O)N(C(C)=O)c2c1nc(N)[nH]c2=O.CC(C)(C)[Si](C)(C)Cl.C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1.C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C21H43N5O3Si2.C13H19N5O5.C9H15N5O3.C6H15ClSi/c1-13(28-30(8,9)20(2,3)4)16(29-31(10,11)21(5,6)7)14-12-23-17-15(24-14)18(27)26-19(22)25-17;1-5(19)10(22)8-4-17(6(2)20)11-9(18(8)7(3)21)12(23)16-13(14)15-11;1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7;1-6(2,3)8(4,5)7/h13-14,16,24H,12H2,1-11H3,(H4,22,23,25,26,27);5,8,10,19,22H,4H2,1-3H3,(H3,14,15,16,23);3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17);1-5H3/t13-,14+,16+;5-,8+,10-;3-,4+,6-;/m000./s1
InChIKeyBQZJGDAMMYTHNG-ZOLUWJGHSA-N
MW1187.08 g/mol
LogP4.07
Rot. Bonds10

About (6R)-2-amino-6-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;tert-butyl-chloro-dimethylsilane;(6R)-5,8-diacetyl-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6,7-dihydro-3H-pteridin-4-one

(6R)-2-amino-6-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;tert-butyl-chloro-dimethylsilane;(6R)-5,8-diacetyl-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6,7-dihydro-3H-pteridin-4-one (PubChem CID 157434976) has the molecular formula C49H92ClN15O11Si3 and a molecular weight of 1187.08 g/mol. Its IUPAC name is (6R)-2-amino-6-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;tert-butyl-chloro-dimethylsilane;(6R)-5,8-diacetyl-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6,7-dihydro-3H-pteridin-4-one.

Molecular Properties

Compound Name(6R)-2-amino-6-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;tert-butyl-chloro-dimethylsilane;(6R)-5,8-diacetyl-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6,7-dihydro-3H-pteridin-4-one
PubChem CID157434976
Molecular FormulaC49H92ClN15O11Si3
Molecular Weight1187.08 g/mol
Exact Mass1185.61
IUPAC Name(6R)-2-amino-6-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;tert-butyl-chloro-dimethylsilane;(6R)-5,8-diacetyl-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6,7-dihydro-3H-pteridin-4-one
SMILESCC(=O)N1C[C@H]([C@@H](O)[C@H](C)O)N(C(C)=O)c2c1nc(N)[nH]c2=O.CC(C)(C)[Si](C)(C)Cl.C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1.C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C21H43N5O3Si2.C13H19N5O5.C9H15N5O3.C6H15ClSi/c1-13(28-30(8,9)20(2,3)4)16(29-31(10,11)21(5,6)7)14-12-23-17-15(24-14)18(27)26-19(22)25-17;1-5(19)10(22)8-4-17(6(2)20)11-9(18(8)7(3)21)12(23)16-13(14)15-11;1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7;1-6(2,3)8(4,5)7/h13-14,16,24H,12H2,1-11H3,(H4,22,23,25,26,27);5,8,10,19,22H,4H2,1-3H3,(H3,14,15,16,23);3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17);1-5H3/t13-,14+,16+;5-,8+,10-;3-,4+,6-;/m000./s1
InChIKeyBQZJGDAMMYTHNG-ZOLUWJGHSA-N
XLogP4.07
TPSA403.43 Ų
H-Bond Donors14
H-Bond Acceptors21
Rotatable Bonds10
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001187.08
LogP ≤ 54.07
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze (6R)-2-amino-6-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;tert-butyl-chloro-dimethylsilane;(6R)-5,8-diacetyl-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6,7-dihydro-3H-pteridin-4-one with MolForge

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Related Compounds

[(1R,2S)-1-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]-1-propanoyloxypropan-2-yl] propanoate
CID 135928958
[1-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)-1-(pyrrolidine-2-carbonyloxy)propan-2-yl] pyrrolidine-2-carboxylate;trihydrochloride
CID 140539158
2-amino-6-[(2S)-1,2-dihydroxyhexyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 170057866
(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5-[(2S)-pyrrolidine-2-carbonyl]-3,6,7,8-tetrahydropteridin-4-one
CID 135914681
2-amino-6-(1-hydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;pyrrolidine-2-carboxylic acid
CID 143832258
2-amino-6-(2-methylpropoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135998865
2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
CID 135445757
1-acetyl-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 141372311
2-amino-5-(2-amino-3-methylbutanoyl)-6-(1-hydroxypropyl)-3,6,7,8-tetrahydropteridin-4-one
CID 143832263
2-amino-6-(aminomethyl)-5-methyl-3,6,7,8-tetrahydropteridin-4-one
CID 163124560
N-[4-(5-acetyl-2-amino-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)phenyl]acetamide
CID 136711734
2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135674617

Frequently Asked Questions

What is the IUPAC name of (6R)-2-amino-6-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;tert-butyl-chloro-dimethylsilane;(6R)-5,8-diacetyl-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6,7-dihydro-3H-pteridin-4-one?
The IUPAC name of (6R)-2-amino-6-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;tert-butyl-chloro-dimethylsilane;(6R)-5,8-diacetyl-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6,7-dihydro-3H-pteridin-4-one (CID 157434976) is (6R)-2-amino-6-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;tert-butyl-chloro-dimethylsilane;(6R)-5,8-diacetyl-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6,7-dihydro-3H-pteridin-4-one.
What is the SMILES notation for (6R)-2-amino-6-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;tert-butyl-chloro-dimethylsilane;(6R)-5,8-diacetyl-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6,7-dihydro-3H-pteridin-4-one?
The canonical SMILES for (6R)-2-amino-6-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;tert-butyl-chloro-dimethylsilane;(6R)-5,8-diacetyl-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6,7-dihydro-3H-pteridin-4-one is CC(=O)N1C[C@H]([C@@H](O)[C@H](C)O)N(C(C)=O)c2c1nc(N)[nH]c2=O.CC(C)(C)[Si](C)(C)Cl.C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1.C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNc2nc(N)[nH]c(=O)c2N1.
What is the InChIKey of (6R)-2-amino-6-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;tert-butyl-chloro-dimethylsilane;(6R)-5,8-diacetyl-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6,7-dihydro-3H-pteridin-4-one?
The InChIKey is BQZJGDAMMYTHNG-ZOLUWJGHSA-N. The full InChI is InChI=1S/C21H43N5O3Si2.C13H19N5O5.C9H15N5O3.C6H15ClSi/c1-13(28-30(8,9)20(2,3)4)16(29-31(10,11)21(5,6)7)14-12-23-17-15(24-14)18(27)26-19(22)25-17;1-5(19)10(22)8-4-17(6(2)20)11-9(18(8)7(3)21)12(23)16-13(14)15-11;1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7;1-6(2,3)8(4,5)7/h13-14,16,24H,12H2,1-11H3,(H4,22,23,25,26,27);5,8,10,19,22H,4H2,1-3H3,(H3,14,15,16,23);3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17);1-5H3/t13-,14+,16+;5-,8+,10-;3-,4+,6-;/m000./s1.
What are the key properties of (6R)-2-amino-6-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;tert-butyl-chloro-dimethylsilane;(6R)-5,8-diacetyl-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6,7-dihydro-3H-pteridin-4-one?
(6R)-2-amino-6-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;tert-butyl-chloro-dimethylsilane;(6R)-5,8-diacetyl-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6,7-dihydro-3H-pteridin-4-one has a molecular weight of 1187.08 g/mol, XLogP of 4.07, 10 rotatable bonds, 14 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-amino-6-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;tert-butyl-chloro-dimethylsilane;(6R)-5,8-diacetyl-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6,7-dihydro-3H-pteridin-4-one is sourced from PubChem (CID 157434976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).