4-amino-1-[(2R,3R,4S,5R)-4-ethynyl-3,4-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidin-2-one

C20H33N3O5Si — CID 24768001

IUPAC4-amino-1-[(2R,3R,4S,5R)-4-ethynyl-3,4-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidin-2-one
SMILESC#C[C@@]1(O)[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O
InChIInChI=1S/C20H33N3O5Si/c1-8-20(26)15(11-27-29(12(2)3,13(4)5)14(6)7)28-18(17(20)24)23-10-9-16(21)22-19(23)25/h1,9-10,12-15,17-18,24,26H,11H2,2-7H3,(H2,21,22,25)/t15-,17+,18-,20-/m1/s1
InChIKeyANYSPRJYLCFJFL-MJKGWSOKSA-N
MW423.59 g/mol
LogP1.64
Rot. Bonds7

About 4-amino-1-[(2R,3R,4S,5R)-4-ethynyl-3,4-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,3R,4S,5R)-4-ethynyl-3,4-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidin-2-one (PubChem CID 24768001) has the molecular formula C20H33N3O5Si and a molecular weight of 423.59 g/mol. Its IUPAC name is 4-amino-1-[(2R,3R,4S,5R)-4-ethynyl-3,4-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,3R,4S,5R)-4-ethynyl-3,4-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidin-2-one
PubChem CID24768001
Molecular FormulaC20H33N3O5Si
Molecular Weight423.59 g/mol
Exact Mass423.22
IUPAC Name4-amino-1-[(2R,3R,4S,5R)-4-ethynyl-3,4-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidin-2-one
SMILESC#C[C@@]1(O)[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O
InChIInChI=1S/C20H33N3O5Si/c1-8-20(26)15(11-27-29(12(2)3,13(4)5)14(6)7)28-18(17(20)24)23-10-9-16(21)22-19(23)25/h1,9-10,12-15,17-18,24,26H,11H2,2-7H3,(H2,21,22,25)/t15-,17+,18-,20-/m1/s1
InChIKeyANYSPRJYLCFJFL-MJKGWSOKSA-N
XLogP1.64
TPSA119.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.59
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-amino-1-[(2R,3R,4S,5R)-4-ethynyl-3,4-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-[(2R,3R,4S)-4-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 139195420
[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-ethynyl-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 140552349
N-[1-[(2R,3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyl-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-(dimethylamino)acetamide
CID 24768017
4-amino-1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-4-prop-2-ynyloxolan-2-yl]pyrimidin-2-one
CID 46875100
[[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-ethynyl-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 161025603
4-amino-1-[(2R,3S,4S,5R)-4-amino-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 67026931
4-amino-1-[(3R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 155889313
(2R,3R,4S,5R,6R)-2-(4-amino-2-oxopyrimidin-1-yl)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-4-carbonitrile
CID 56930499
[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 54322038
4-amino-1-[(2R,3R,4S,5R)-4-ethenyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10778366
4-amino-1-[(2R,3R,4S)-4-ethynyl-3,4-dihydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 5276957
[5-(4-amino-2-oxopyrimidin-1-yl)-3-ethynyl-3,4-dihydroxyoxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
CID 45028394

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3R,4S,5R)-4-ethynyl-3,4-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,3R,4S,5R)-4-ethynyl-3,4-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidin-2-one (CID 24768001) is 4-amino-1-[(2R,3R,4S,5R)-4-ethynyl-3,4-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,3R,4S,5R)-4-ethynyl-3,4-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,3R,4S,5R)-4-ethynyl-3,4-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidin-2-one is C#C[C@@]1(O)[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O.
What is the InChIKey of 4-amino-1-[(2R,3R,4S,5R)-4-ethynyl-3,4-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidin-2-one?
The InChIKey is ANYSPRJYLCFJFL-MJKGWSOKSA-N. The full InChI is InChI=1S/C20H33N3O5Si/c1-8-20(26)15(11-27-29(12(2)3,13(4)5)14(6)7)28-18(17(20)24)23-10-9-16(21)22-19(23)25/h1,9-10,12-15,17-18,24,26H,11H2,2-7H3,(H2,21,22,25)/t15-,17+,18-,20-/m1/s1.
What are the key properties of 4-amino-1-[(2R,3R,4S,5R)-4-ethynyl-3,4-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,3R,4S,5R)-4-ethynyl-3,4-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidin-2-one has a molecular weight of 423.59 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,3R,4S,5R)-4-ethynyl-3,4-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 24768001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).