5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-2-one

C12H17N5O5S — CID 10215379

IUPAC5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-2-one
SMILESCN(C)c1nc(N)nc2c1sc(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H17N5O5S/c1-16(2)8-7-9(15-11(13)14-8)17(12(21)23-7)10-6(20)5(19)4(3-18)22-10/h4-6,10,18-20H,3H2,1-2H3,(H2,13,14,15)/t4-,5-,6-,10-/m1/s1
InChIKeyXRPZITYQBYJQIQ-PLDPKQSISA-N
MW343.37 g/mol
LogP-1.89
Rot. Bonds3

About 5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-2-one

5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-2-one (PubChem CID 10215379) has the molecular formula C12H17N5O5S and a molecular weight of 343.37 g/mol. Its IUPAC name is 5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-2-one
PubChem CID10215379
Molecular FormulaC12H17N5O5S
Molecular Weight343.37 g/mol
Exact Mass343.10
IUPAC Name5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-2-one
SMILESCN(C)c1nc(N)nc2c1sc(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H17N5O5S/c1-16(2)8-7-9(15-11(13)14-8)17(12(21)23-7)10-6(20)5(19)4(3-18)22-10/h4-6,10,18-20H,3H2,1-2H3,(H2,13,14,15)/t4-,5-,6-,10-/m1/s1
InChIKeyXRPZITYQBYJQIQ-PLDPKQSISA-N
XLogP-1.89
TPSA146.96 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.37
LogP ≤ 5-1.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-2-one with MolForge

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Related Compounds

5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-one
CID 10215716
5-amino-3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 171395660
5-amino-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 135850829
ethyl N-[[5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]oxymethyl]carbamate
CID 11373426
5-amino-3-[(2R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one
CID 71273177
4,6-diamino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 176652801
5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
CID 11617448
3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-[(4-methoxyphenyl)methoxy]-[1,3]thiazolo[4,5-d]pyrimidin-2-one
CID 143152899
[(2R,3S,4R,5R)-5-[5-amino-7-(methylamino)-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate
CID 10238125
5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-2-one
CID 59685925
(2R,3R,4S,5R)-5-[2-amino-6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 134165870
[(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate
CID 10195657

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The IUPAC name of 5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-2-one (CID 10215379) is 5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The canonical SMILES for 5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-2-one is CN(C)c1nc(N)nc2c1sc(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of 5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The InChIKey is XRPZITYQBYJQIQ-PLDPKQSISA-N. The full InChI is InChI=1S/C12H17N5O5S/c1-16(2)8-7-9(15-11(13)14-8)17(12(21)23-7)10-6(20)5(19)4(3-18)22-10/h4-6,10,18-20H,3H2,1-2H3,(H2,13,14,15)/t4-,5-,6-,10-/m1/s1.
What are the key properties of 5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-2-one has a molecular weight of 343.37 g/mol, XLogP of -1.89, 3 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 10215379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).