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

C14H23N5O3 — CID 53185742

IUPAC3-(2-methoxyethyl)-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea
SMILESCOCCNC(=O)N(C)C1CCN(c2nccnc2OC)C1
InChIInChI=1S/C14H23N5O3/c1-18(14(20)17-7-9-21-2)11-4-8-19(10-11)12-13(22-3)16-6-5-15-12/h5-6,11H,4,7-10H2,1-3H3,(H,17,20)
InChIKeyABPKNRDSFXUTQP-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.35
Rot. Bonds6

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

3-(2-methoxyethyl)-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea (PubChem CID 53185742) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea
PubChem CID53185742
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC Name3-(2-methoxyethyl)-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea
SMILESCOCCNC(=O)N(C)C1CCN(c2nccnc2OC)C1
InChIInChI=1S/C14H23N5O3/c1-18(14(20)17-7-9-21-2)11-4-8-19(10-11)12-13(22-3)16-6-5-15-12/h5-6,11H,4,7-10H2,1-3H3,(H,17,20)
InChIKeyABPKNRDSFXUTQP-UHFFFAOYSA-N
XLogP0.35
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.35
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 3-(2-methoxyethyl)-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea?
The IUPAC name of 3-(2-methoxyethyl)-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea (CID 53185742) is 3-(2-methoxyethyl)-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea.
What is the SMILES notation for 3-(2-methoxyethyl)-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea?
The canonical SMILES for 3-(2-methoxyethyl)-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea is COCCNC(=O)N(C)C1CCN(c2nccnc2OC)C1.
What is the InChIKey of 3-(2-methoxyethyl)-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea?
The InChIKey is ABPKNRDSFXUTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-18(14(20)17-7-9-21-2)11-4-8-19(10-11)12-13(22-3)16-6-5-15-12/h5-6,11H,4,7-10H2,1-3H3,(H,17,20).
What are the key properties of 3-(2-methoxyethyl)-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea?
3-(2-methoxyethyl)-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea has a molecular weight of 309.37 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea is sourced from PubChem (CID 53185742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).