1-[(1R,3R)-3-aminocyclopentyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea

C18H30N6O2Si — CID 67431269

IUPAC1-[(1R,3R)-3-aminocyclopentyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
SMILESC[Si](C)(C)CCOCn1ccc2nc(NC(=O)N[C@@H]3CC[C@@H](N)C3)cnc21
InChIInChI=1S/C18H30N6O2Si/c1-27(2,3)9-8-26-12-24-7-6-15-17(24)20-11-16(22-15)23-18(25)21-14-5-4-13(19)10-14/h6-7,11,13-14H,4-5,8-10,12,19H2,1-3H3,(H2,21,22,23,25)/t13-,14-/m1/s1
InChIKeyHEMDNJXIEVZCBA-ZIAGYGMSSA-N
MW390.56 g/mol
LogP2.74
Rot. Bonds7

About 1-[(1R,3R)-3-aminocyclopentyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea

1-[(1R,3R)-3-aminocyclopentyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea (PubChem CID 67431269) has the molecular formula C18H30N6O2Si and a molecular weight of 390.56 g/mol. Its IUPAC name is 1-[(1R,3R)-3-aminocyclopentyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea.

Molecular Properties

Compound Name1-[(1R,3R)-3-aminocyclopentyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
PubChem CID67431269
Molecular FormulaC18H30N6O2Si
Molecular Weight390.56 g/mol
Exact Mass390.22
IUPAC Name1-[(1R,3R)-3-aminocyclopentyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
SMILESC[Si](C)(C)CCOCn1ccc2nc(NC(=O)N[C@@H]3CC[C@@H](N)C3)cnc21
InChIInChI=1S/C18H30N6O2Si/c1-27(2,3)9-8-26-12-24-7-6-15-17(24)20-11-16(22-15)23-18(25)21-14-5-4-13(19)10-14/h6-7,11,13-14H,4-5,8-10,12,19H2,1-3H3,(H2,21,22,23,25)/t13-,14-/m1/s1
InChIKeyHEMDNJXIEVZCBA-ZIAGYGMSSA-N
XLogP2.74
TPSA107.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.56
LogP ≤ 52.74
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3R)-3-aminocyclopentyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea?
The IUPAC name of 1-[(1R,3R)-3-aminocyclopentyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea (CID 67431269) is 1-[(1R,3R)-3-aminocyclopentyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea.
What is the SMILES notation for 1-[(1R,3R)-3-aminocyclopentyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea?
The canonical SMILES for 1-[(1R,3R)-3-aminocyclopentyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea is C[Si](C)(C)CCOCn1ccc2nc(NC(=O)N[C@@H]3CC[C@@H](N)C3)cnc21.
What is the InChIKey of 1-[(1R,3R)-3-aminocyclopentyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea?
The InChIKey is HEMDNJXIEVZCBA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H30N6O2Si/c1-27(2,3)9-8-26-12-24-7-6-15-17(24)20-11-16(22-15)23-18(25)21-14-5-4-13(19)10-14/h6-7,11,13-14H,4-5,8-10,12,19H2,1-3H3,(H2,21,22,23,25)/t13-,14-/m1/s1.
What are the key properties of 1-[(1R,3R)-3-aminocyclopentyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea?
1-[(1R,3R)-3-aminocyclopentyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea has a molecular weight of 390.56 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3R)-3-aminocyclopentyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea is sourced from PubChem (CID 67431269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).