(2R,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3-[tert-butyl(dimethyl)silyl]oxolane-2-carbaldehyde

C18H28N4O2Si — CID 131743808

IUPAC(2R,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3-[tert-butyl(dimethyl)silyl]oxolane-2-carbaldehyde
SMILESCc1cn([C@H]2C[C@H]([Si](C)(C)C(C)(C)C)[C@@H](C=O)O2)c2ncnc(N)c12
InChIInChI=1S/C18H28N4O2Si/c1-11-8-22(17-15(11)16(19)20-10-21-17)14-7-13(12(9-23)24-14)25(5,6)18(2,3)4/h8-10,12-14H,7H2,1-6H3,(H2,19,20,21)/t12-,13+,14-/m1/s1
InChIKeyMHAVZCYWUPPKOZ-HZSPNIEDSA-N
MW360.53 g/mol
LogP3.69
Rot. Bonds3

About (2R,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3-[tert-butyl(dimethyl)silyl]oxolane-2-carbaldehyde

(2R,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3-[tert-butyl(dimethyl)silyl]oxolane-2-carbaldehyde (PubChem CID 131743808) has the molecular formula C18H28N4O2Si and a molecular weight of 360.53 g/mol. Its IUPAC name is (2R,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3-[tert-butyl(dimethyl)silyl]oxolane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3-[tert-butyl(dimethyl)silyl]oxolane-2-carbaldehyde
PubChem CID131743808
Molecular FormulaC18H28N4O2Si
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC Name(2R,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3-[tert-butyl(dimethyl)silyl]oxolane-2-carbaldehyde
SMILESCc1cn([C@H]2C[C@H]([Si](C)(C)C(C)(C)C)[C@@H](C=O)O2)c2ncnc(N)c12
InChIInChI=1S/C18H28N4O2Si/c1-11-8-22(17-15(11)16(19)20-10-21-17)14-7-13(12(9-23)24-14)25(5,6)18(2,3)4/h8-10,12-14H,7H2,1-6H3,(H2,19,20,21)/t12-,13+,14-/m1/s1
InChIKeyMHAVZCYWUPPKOZ-HZSPNIEDSA-N
XLogP3.69
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,5R)-5-(4-amino-5-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-2-carbaldehyde
CID 118409897
(2R,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbaldehyde
CID 131965797
(2S,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxyoxolane-2-carbaldehyde
CID 131965804
5-(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-2-carbaldehyde
CID 145365126
5-methyl-7-[5-(quinolin-7-yloxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 126637741
[5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]-(4-chlorophenyl)methanol
CID 155706421
[[5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 123855611
(2R,5R)-5-(4-amino-5-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 177120509
4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde
CID 139331190
(2R,3S,5S)-5-[4-amino-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 54435537
5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 72614501
(2S,3R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154810042

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3-[tert-butyl(dimethyl)silyl]oxolane-2-carbaldehyde?
The IUPAC name of (2R,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3-[tert-butyl(dimethyl)silyl]oxolane-2-carbaldehyde (CID 131743808) is (2R,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3-[tert-butyl(dimethyl)silyl]oxolane-2-carbaldehyde.
What is the SMILES notation for (2R,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3-[tert-butyl(dimethyl)silyl]oxolane-2-carbaldehyde?
The canonical SMILES for (2R,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3-[tert-butyl(dimethyl)silyl]oxolane-2-carbaldehyde is Cc1cn([C@H]2C[C@H]([Si](C)(C)C(C)(C)C)[C@@H](C=O)O2)c2ncnc(N)c12.
What is the InChIKey of (2R,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3-[tert-butyl(dimethyl)silyl]oxolane-2-carbaldehyde?
The InChIKey is MHAVZCYWUPPKOZ-HZSPNIEDSA-N. The full InChI is InChI=1S/C18H28N4O2Si/c1-11-8-22(17-15(11)16(19)20-10-21-17)14-7-13(12(9-23)24-14)25(5,6)18(2,3)4/h8-10,12-14H,7H2,1-6H3,(H2,19,20,21)/t12-,13+,14-/m1/s1.
What are the key properties of (2R,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3-[tert-butyl(dimethyl)silyl]oxolane-2-carbaldehyde?
(2R,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3-[tert-butyl(dimethyl)silyl]oxolane-2-carbaldehyde has a molecular weight of 360.53 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3-[tert-butyl(dimethyl)silyl]oxolane-2-carbaldehyde is sourced from PubChem (CID 131743808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).