1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea

C14H23N5O2 — CID 53185738

IUPAC1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea
SMILESCCCNC(=O)N(C)C1CCN(c2nccnc2OC)C1
InChIInChI=1S/C14H23N5O2/c1-4-6-17-14(20)18(2)11-5-9-19(10-11)12-13(21-3)16-8-7-15-12/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,20)
InChIKeyOKMVVJHWHLXFQF-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.12
Rot. Bonds5

About 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea

1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea (PubChem CID 53185738) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea.

Molecular Properties

Compound Name1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea
PubChem CID53185738
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea
SMILESCCCNC(=O)N(C)C1CCN(c2nccnc2OC)C1
InChIInChI=1S/C14H23N5O2/c1-4-6-17-14(20)18(2)11-5-9-19(10-11)12-13(21-3)16-8-7-15-12/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,20)
InChIKeyOKMVVJHWHLXFQF-UHFFFAOYSA-N
XLogP1.12
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea?
The IUPAC name of 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea (CID 53185738) is 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea.
What is the SMILES notation for 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea?
The canonical SMILES for 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea is CCCNC(=O)N(C)C1CCN(c2nccnc2OC)C1.
What is the InChIKey of 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea?
The InChIKey is OKMVVJHWHLXFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-4-6-17-14(20)18(2)11-5-9-19(10-11)12-13(21-3)16-8-7-15-12/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,20).
What are the key properties of 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea?
1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea has a molecular weight of 293.37 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propylurea is sourced from PubChem (CID 53185738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).