[4-[4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol

C27H35N5O2Si — CID 171513346

IUPAC[4-[4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol
SMILESCc1cccc(CN(C)c2ncnc3c2cc(-c2ccc(CO)cc2)n3COCC[Si](C)(C)C)n1
InChIInChI=1S/C27H35N5O2Si/c1-20-7-6-8-23(30-20)16-31(2)26-24-15-25(22-11-9-21(17-33)10-12-22)32(27(24)29-18-28-26)19-34-13-14-35(3,4)5/h6-12,15,18,33H,13-14,16-17,19H2,1-5H3
InChIKeyUQGPOOWKXGKBNA-UHFFFAOYSA-N
MW489.70 g/mol
LogP5.24
Rot. Bonds10

About [4-[4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol

[4-[4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol (PubChem CID 171513346) has the molecular formula C27H35N5O2Si and a molecular weight of 489.70 g/mol. Its IUPAC name is [4-[4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol
PubChem CID171513346
Molecular FormulaC27H35N5O2Si
Molecular Weight489.70 g/mol
Exact Mass489.26
IUPAC Name[4-[4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol
SMILESCc1cccc(CN(C)c2ncnc3c2cc(-c2ccc(CO)cc2)n3COCC[Si](C)(C)C)n1
InChIInChI=1S/C27H35N5O2Si/c1-20-7-6-8-23(30-20)16-31(2)26-24-15-25(22-11-9-21(17-33)10-12-22)32(27(24)29-18-28-26)19-34-13-14-35(3,4)5/h6-12,15,18,33H,13-14,16-17,19H2,1-5H3
InChIKeyUQGPOOWKXGKBNA-UHFFFAOYSA-N
XLogP5.24
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.70
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [4-[4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol with MolForge

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Related Compounds

2-[(4-chloro-2-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 58368344
[3-chloro-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]methanol
CID 81152345
[3-[4-(dimethylamino)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol
CID 86706962
N-[4-[2-[4-[4-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]anilino]-2-oxoethyl]phenyl]prop-2-enamide
CID 171431601
2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 21081676
2-[(4-chloro-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 77230728
2-[(4,6-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 140923779
2-[[4-chloro-6-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethyl-λ4-sulfane
CID 171513234
1-cyclopropyl-3-[2-fluoro-4-[6-(4-phenylmethoxyphenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]propan-2-one
CID 58272144
1-[2-chloro-4-[6-[4-[2-(diethylamino)ethoxy]phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]-3-cyclopropylpropan-2-one
CID 58272349
6-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 115417200
trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
CID 59420154

Frequently Asked Questions

What is the IUPAC name of [4-[4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol?
The IUPAC name of [4-[4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol (CID 171513346) is [4-[4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol.
What is the SMILES notation for [4-[4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol?
The canonical SMILES for [4-[4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol is Cc1cccc(CN(C)c2ncnc3c2cc(-c2ccc(CO)cc2)n3COCC[Si](C)(C)C)n1.
What is the InChIKey of [4-[4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol?
The InChIKey is UQGPOOWKXGKBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O2Si/c1-20-7-6-8-23(30-20)16-31(2)26-24-15-25(22-11-9-21(17-33)10-12-22)32(27(24)29-18-28-26)19-34-13-14-35(3,4)5/h6-12,15,18,33H,13-14,16-17,19H2,1-5H3.
What are the key properties of [4-[4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol?
[4-[4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol has a molecular weight of 489.70 g/mol, XLogP of 5.24, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol is sourced from PubChem (CID 171513346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).