2-[[2-chloro-4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane

C19H29ClN4OSi — CID 177211662

IUPAC2-[[2-chloro-4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
SMILESCCC12CC1CN(c1nc(Cl)nc3c1ccn3COCC[Si](C)(C)C)C2
InChIInChI=1S/C19H29ClN4OSi/c1-5-19-10-14(19)11-24(12-19)17-15-6-7-23(16(15)21-18(20)22-17)13-25-8-9-26(2,3)4/h6-7,14H,5,8-13H2,1-4H3
InChIKeyXVSPRTBJAHCIHZ-UHFFFAOYSA-N
MW393.01 g/mol
LogP4.63
Rot. Bonds7

About 2-[[2-chloro-4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane

2-[[2-chloro-4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane (PubChem CID 177211662) has the molecular formula C19H29ClN4OSi and a molecular weight of 393.01 g/mol. Its IUPAC name is 2-[[2-chloro-4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-chloro-4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
PubChem CID177211662
Molecular FormulaC19H29ClN4OSi
Molecular Weight393.01 g/mol
Exact Mass392.18
IUPAC Name2-[[2-chloro-4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
SMILESCCC12CC1CN(c1nc(Cl)nc3c1ccn3COCC[Si](C)(C)C)C2
InChIInChI=1S/C19H29ClN4OSi/c1-5-19-10-14(19)11-24(12-19)17-15-6-7-23(16(15)21-18(20)22-17)13-25-8-9-26(2,3)4/h6-7,14H,5,8-13H2,1-4H3
InChIKeyXVSPRTBJAHCIHZ-UHFFFAOYSA-N
XLogP4.63
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.01
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-[(2-chloro-4-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 87223684
4-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-1-methylcyclohexan-1-ol
CID 175993151
3-[4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
CID 177211682
2-[(2-chloro-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethyl-λ4-sulfane
CID 130333156
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
2-chloro-N-(2-methylsulfonylethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 154698165
2-[[6-chloro-4-(2,4,6-trichlorophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 101395266
N-[3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]prop-2-enamide
CID 90096094
(3R)-N-methyl-1-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine
CID 66765875
6-chloro-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 154698326
(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
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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-chloro-4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane (CID 177211662) is 2-[[2-chloro-4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-chloro-4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-chloro-4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane is CCC12CC1CN(c1nc(Cl)nc3c1ccn3COCC[Si](C)(C)C)C2.
What is the InChIKey of 2-[[2-chloro-4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is XVSPRTBJAHCIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4OSi/c1-5-19-10-14(19)11-24(12-19)17-15-6-7-23(16(15)21-18(20)22-17)13-25-8-9-26(2,3)4/h6-7,14H,5,8-13H2,1-4H3.
What are the key properties of 2-[[2-chloro-4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
2-[[2-chloro-4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 393.01 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 177211662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).