4-amino-1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-(1-hydroxy-2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one

C15H27N3O5Si — CID 175321435

IUPAC4-amino-1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-(1-hydroxy-2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one
SMILESC[SiH](C)[C@@]1(n2ccc(N)nc2=O)O[C@H](C(O)C(C)(C)C)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H27N3O5Si/c1-14(2,3)12(21)10-9(19)11(20)15(23-10,24(4)5)18-7-6-8(16)17-13(18)22/h6-7,9-12,19-21,24H,1-5H3,(H2,16,17,22)/t9-,10+,11-,12?,15+/m1/s1
InChIKeyBKDJZKLTBXAPTP-DHOKYPLCSA-N
MW357.48 g/mol
LogP-0.97
Rot. Bonds3

About 4-amino-1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-(1-hydroxy-2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-(1-hydroxy-2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one (PubChem CID 175321435) has the molecular formula C15H27N3O5Si and a molecular weight of 357.48 g/mol. Its IUPAC name is 4-amino-1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-(1-hydroxy-2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-(1-hydroxy-2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one
PubChem CID175321435
Molecular FormulaC15H27N3O5Si
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC Name4-amino-1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-(1-hydroxy-2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one
SMILESC[SiH](C)[C@@]1(n2ccc(N)nc2=O)O[C@H](C(O)C(C)(C)C)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H27N3O5Si/c1-14(2,3)12(21)10-9(19)11(20)15(23-10,24(4)5)18-7-6-8(16)17-13(18)22/h6-7,9-12,19-21,24H,1-5H3,(H2,16,17,22)/t9-,10+,11-,12?,15+/m1/s1
InChIKeyBKDJZKLTBXAPTP-DHOKYPLCSA-N
XLogP-0.97
TPSA130.83 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-amino-1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-(1-hydroxy-2,2-dimethylpropyl)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

(2R,3S,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolane-2-carbonitrile
CID 70674891
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2,3-dimethyloxolan-2-yl]pyrimidin-2-one
CID 66824648
4-amino-1-[(2S,3R,4R,5R)-3-butyl-2-dimethylsilyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 154293662
4-amino-1-[(2S,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2-(2-methylpropanoyl)oxolan-2-yl]pyrimidin-2-one
CID 154221371
4-amino-1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidin-2-one
CID 174057845
4-amino-1-[(2R,3S,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-2-methyloxolan-2-yl]pyrimidin-2-one
CID 154134137
1-[(2S,3R,4R,5R)-2-acetyl-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-4-aminopyrimidin-2-one
CID 170162870
4-amino-1-[(2S,3R,4S,5R)-2-(3,5-dimethylbenzoyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 142660888
4-amino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]pyrimidin-2-one
CID 66725496
[(2S,3R,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy hypobromite
CID 150136971
[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate
CID 165408738
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-5-methyloxolan-2-yl]oxymethylphosphonic acid
CID 59795978

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-(1-hydroxy-2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-(1-hydroxy-2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one (CID 175321435) is 4-amino-1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-(1-hydroxy-2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-(1-hydroxy-2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-(1-hydroxy-2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one is C[SiH](C)[C@@]1(n2ccc(N)nc2=O)O[C@H](C(O)C(C)(C)C)[C@@H](O)[C@H]1O.
What is the InChIKey of 4-amino-1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-(1-hydroxy-2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one?
The InChIKey is BKDJZKLTBXAPTP-DHOKYPLCSA-N. The full InChI is InChI=1S/C15H27N3O5Si/c1-14(2,3)12(21)10-9(19)11(20)15(23-10,24(4)5)18-7-6-8(16)17-13(18)22/h6-7,9-12,19-21,24H,1-5H3,(H2,16,17,22)/t9-,10+,11-,12?,15+/m1/s1.
What are the key properties of 4-amino-1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-(1-hydroxy-2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-(1-hydroxy-2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 357.48 g/mol, XLogP of -0.97, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2S,3R,4S,5R)-2-dimethylsilyl-3,4-dihydroxy-5-(1-hydroxy-2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 175321435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).