(3R)-N-methyl-1-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine

C17H29N5OSi — CID 66765875

IUPAC(3R)-N-methyl-1-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine
SMILESCN[C@@H]1CCN(c2ncnc3c2ccn3COCC[Si](C)(C)C)C1
InChIInChI=1S/C17H29N5OSi/c1-18-14-5-7-21(11-14)16-15-6-8-22(17(15)20-12-19-16)13-23-9-10-24(2,3)4/h6,8,12,14,18H,5,7,9-11,13H2,1-4H3/t14-/m1/s1
InChIKeyVDXHRMMXPCCFJQ-CQSZACIVSA-N
MW347.54 g/mol
LogP2.54
Rot. Bonds7

About (3R)-N-methyl-1-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine

(3R)-N-methyl-1-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine (PubChem CID 66765875) has the molecular formula C17H29N5OSi and a molecular weight of 347.54 g/mol. Its IUPAC name is (3R)-N-methyl-1-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-methyl-1-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine
PubChem CID66765875
Molecular FormulaC17H29N5OSi
Molecular Weight347.54 g/mol
Exact Mass347.21
IUPAC Name(3R)-N-methyl-1-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine
SMILESCN[C@@H]1CCN(c2ncnc3c2ccn3COCC[Si](C)(C)C)C1
InChIInChI=1S/C17H29N5OSi/c1-18-14-5-7-21(11-14)16-15-6-8-22(17(15)20-12-19-16)13-23-9-10-24(2,3)4/h6,8,12,14,18H,5,7,9-11,13H2,1-4H3/t14-/m1/s1
InChIKeyVDXHRMMXPCCFJQ-CQSZACIVSA-N
XLogP2.54
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.54
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-methyl-N-[1-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]pyrazin-2-amine
CID 87139795
(3aS,7aS)-3a-methyl-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-2-carbonitrile
CID 152620993
trimethyl-[2-[(4-pyrrol-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
CID 141424330
2-[[4-(1,7-diazaspiro[3.4]octan-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
CID 172817129
N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine
CID 141355610
2-[[4-[(3aR,7aS)-2-benzyl-3a-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
CID 153297382
8a-methyl-7-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3,4,4a,5,6,8-hexahydro-2H-2,7-naphthyridin-1-one
CID 153297374
ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylate
CID 142408656
7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 70983690
2-[[4-[(4aS,7aS)-7a-methyl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyridin-2-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;(3aS,7aS)-3a-methyl-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-2-carbonitrile;(3aR,7aR)-3a-methyl-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-2-carbonitrile;methane
CID 158414674
2-[[4-[(4aS,7aS)-7a-methyl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyridin-2-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;(3aS,7aS)-3a-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-2-sulfonamide;(3aS,7aS)-3a-methyl-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-2-sulfonamide;sulfamide
CID 158105341
CID 158775291
CID 158775291

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine?
The IUPAC name of (3R)-N-methyl-1-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine (CID 66765875) is (3R)-N-methyl-1-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-methyl-1-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-N-methyl-1-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine is CN[C@@H]1CCN(c2ncnc3c2ccn3COCC[Si](C)(C)C)C1.
What is the InChIKey of (3R)-N-methyl-1-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine?
The InChIKey is VDXHRMMXPCCFJQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H29N5OSi/c1-18-14-5-7-21(11-14)16-15-6-8-22(17(15)20-12-19-16)13-23-9-10-24(2,3)4/h6,8,12,14,18H,5,7,9-11,13H2,1-4H3/t14-/m1/s1.
What are the key properties of (3R)-N-methyl-1-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine?
(3R)-N-methyl-1-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine has a molecular weight of 347.54 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-1-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine is sourced from PubChem (CID 66765875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).