1-(2-methoxyethyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea

C11H17N3O2 — CID 75484739

IUPAC1-(2-methoxyethyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea
SMILESCOCCN(C)C(=O)Nc1cccc(C)n1
InChIInChI=1S/C11H17N3O2/c1-9-5-4-6-10(12-9)13-11(15)14(2)7-8-16-3/h4-6H,7-8H2,1-3H3,(H,12,13,15)
InChIKeyXPPKITOSDZYVTP-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.50
Rot. Bonds4

About 1-(2-methoxyethyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea

1-(2-methoxyethyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea (PubChem CID 75484739) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea
PubChem CID75484739
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(2-methoxyethyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea
SMILESCOCCN(C)C(=O)Nc1cccc(C)n1
InChIInChI=1S/C11H17N3O2/c1-9-5-4-6-10(12-9)13-11(15)14(2)7-8-16-3/h4-6H,7-8H2,1-3H3,(H,12,13,15)
InChIKeyXPPKITOSDZYVTP-UHFFFAOYSA-N
XLogP1.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(2-methoxyethyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea (CID 75484739) is 1-(2-methoxyethyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea is COCCN(C)C(=O)Nc1cccc(C)n1.
What is the InChIKey of 1-(2-methoxyethyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is XPPKITOSDZYVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-9-5-4-6-10(12-9)13-11(15)14(2)7-8-16-3/h4-6H,7-8H2,1-3H3,(H,12,13,15).
What are the key properties of 1-(2-methoxyethyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea?
1-(2-methoxyethyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea has a molecular weight of 223.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 75484739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).