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

C15H25N5O3 — CID 53185736

IUPAC3-(3-methoxypropyl)-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea
SMILESCOCCCNC(=O)N(C)C1CCN(c2nccnc2OC)C1
InChIInChI=1S/C15H25N5O3/c1-19(15(21)18-6-4-10-22-2)12-5-9-20(11-12)13-14(23-3)17-8-7-16-13/h7-8,12H,4-6,9-11H2,1-3H3,(H,18,21)
InChIKeyFRXRVLPZRFMOOE-UHFFFAOYSA-N
MW323.40 g/mol
LogP0.74
Rot. Bonds7

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

3-(3-methoxypropyl)-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea (PubChem CID 53185736) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea.

Molecular Properties

Compound Name3-(3-methoxypropyl)-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea
PubChem CID53185736
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name3-(3-methoxypropyl)-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea
SMILESCOCCCNC(=O)N(C)C1CCN(c2nccnc2OC)C1
InChIInChI=1S/C15H25N5O3/c1-19(15(21)18-6-4-10-22-2)12-5-9-20(11-12)13-14(23-3)17-8-7-16-13/h7-8,12H,4-6,9-11H2,1-3H3,(H,18,21)
InChIKeyFRXRVLPZRFMOOE-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 3-(3-methoxypropyl)-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea?
The IUPAC name of 3-(3-methoxypropyl)-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea (CID 53185736) is 3-(3-methoxypropyl)-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea.
What is the SMILES notation for 3-(3-methoxypropyl)-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea?
The canonical SMILES for 3-(3-methoxypropyl)-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea is COCCCNC(=O)N(C)C1CCN(c2nccnc2OC)C1.
What is the InChIKey of 3-(3-methoxypropyl)-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea?
The InChIKey is FRXRVLPZRFMOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-19(15(21)18-6-4-10-22-2)12-5-9-20(11-12)13-14(23-3)17-8-7-16-13/h7-8,12H,4-6,9-11H2,1-3H3,(H,18,21).
What are the key properties of 3-(3-methoxypropyl)-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea?
3-(3-methoxypropyl)-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-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 3-(3-methoxypropyl)-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea is sourced from PubChem (CID 53185736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).