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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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).