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

C13H21N5O2 — CID 53185735

IUPAC3-ethyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea
SMILESCCNC(=O)N(C)C1CCN(c2nccnc2OC)C1
InChIInChI=1S/C13H21N5O2/c1-4-14-13(19)17(2)10-5-8-18(9-10)11-12(20-3)16-7-6-15-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,14,19)
InChIKeyBUCIFUGXIAMLPR-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.73
Rot. Bonds4

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

3-ethyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea (PubChem CID 53185735) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-ethyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea.

Molecular Properties

Compound Name3-ethyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea
PubChem CID53185735
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name3-ethyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea
SMILESCCNC(=O)N(C)C1CCN(c2nccnc2OC)C1
InChIInChI=1S/C13H21N5O2/c1-4-14-13(19)17(2)10-5-8-18(9-10)11-12(20-3)16-7-6-15-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,14,19)
InChIKeyBUCIFUGXIAMLPR-UHFFFAOYSA-N
XLogP0.73
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea?
The IUPAC name of 3-ethyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea (CID 53185735) is 3-ethyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea.
What is the SMILES notation for 3-ethyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea?
The canonical SMILES for 3-ethyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea is CCNC(=O)N(C)C1CCN(c2nccnc2OC)C1.
What is the InChIKey of 3-ethyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea?
The InChIKey is BUCIFUGXIAMLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-4-14-13(19)17(2)10-5-8-18(9-10)11-12(20-3)16-7-6-15-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,14,19).
What are the key properties of 3-ethyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea?
3-ethyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea has a molecular weight of 279.34 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea is sourced from PubChem (CID 53185735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).