1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)-1-methylurea

C15H25N5O3 — CID 53185712

IUPAC1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)-1-methylurea
SMILESCCOc1nccnc1N1CCC(N(C)C(=O)NCCOC)C1
InChIInChI=1S/C15H25N5O3/c1-4-23-14-13(16-6-7-17-14)20-9-5-12(11-20)19(2)15(21)18-8-10-22-3/h6-7,12H,4-5,8-11H2,1-3H3,(H,18,21)
InChIKeyTWADHMWRRWBIQG-UHFFFAOYSA-N
MW323.40 g/mol
LogP0.74
Rot. Bonds7

About 1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)-1-methylurea

1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)-1-methylurea (PubChem CID 53185712) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)-1-methylurea.

Molecular Properties

Compound Name1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)-1-methylurea
PubChem CID53185712
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)-1-methylurea
SMILESCCOc1nccnc1N1CCC(N(C)C(=O)NCCOC)C1
InChIInChI=1S/C15H25N5O3/c1-4-23-14-13(16-6-7-17-14)20-9-5-12(11-20)19(2)15(21)18-8-10-22-3/h6-7,12H,4-5,8-11H2,1-3H3,(H,18,21)
InChIKeyTWADHMWRRWBIQG-UHFFFAOYSA-N
XLogP0.74
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)-1-methylurea?
The IUPAC name of 1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)-1-methylurea (CID 53185712) is 1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)-1-methylurea.
What is the SMILES notation for 1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)-1-methylurea?
The canonical SMILES for 1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)-1-methylurea is CCOc1nccnc1N1CCC(N(C)C(=O)NCCOC)C1.
What is the InChIKey of 1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)-1-methylurea?
The InChIKey is TWADHMWRRWBIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-4-23-14-13(16-6-7-17-14)20-9-5-12(11-20)19(2)15(21)18-8-10-22-3/h6-7,12H,4-5,8-11H2,1-3H3,(H,18,21).
What are the key properties of 1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)-1-methylurea?
1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)-1-methylurea has a molecular weight of 323.40 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)-1-methylurea is sourced from PubChem (CID 53185712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).