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

C11H17N3O3 — CID 108894432

IUPAC1-(2-methoxyethoxymethyl)-3-(6-methyl-2-pyridinyl)urea
SMILESCOCCOCNC(=O)Nc1cccc(C)n1
InChIInChI=1S/C11H17N3O3/c1-9-4-3-5-10(13-9)14-11(15)12-8-17-7-6-16-2/h3-5H,6-8H2,1-2H3,(H2,12,13,14,15)
InChIKeyDBWJCXKUVBKFTC-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.13
Rot. Bonds6

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

1-(2-methoxyethoxymethyl)-3-(6-methyl-2-pyridinyl)urea (PubChem CID 108894432) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(2-methoxyethoxymethyl)-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(2-methoxyethoxymethyl)-3-(6-methyl-2-pyridinyl)urea
PubChem CID108894432
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name1-(2-methoxyethoxymethyl)-3-(6-methyl-2-pyridinyl)urea
SMILESCOCCOCNC(=O)Nc1cccc(C)n1
InChIInChI=1S/C11H17N3O3/c1-9-4-3-5-10(13-9)14-11(15)12-8-17-7-6-16-2/h3-5H,6-8H2,1-2H3,(H2,12,13,14,15)
InChIKeyDBWJCXKUVBKFTC-UHFFFAOYSA-N
XLogP1.13
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[2-[(6-methyl-2-pyridinyl)carbamoylamino]acetyl]amino]acetate
CID 126839933
1-[(3,4-dimethylphenoxy)methyl]-3-(6-methyl-2-pyridinyl)urea
CID 108879152
1-(6-methyl-2-pyridinyl)-3-(2-phenoxyethyl)urea
CID 108887059
1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea
CID 934768
1-(6-methyl-2-pyridinyl)-3-(3-phenoxypropyl)urea
CID 108883164
1-(6-methyl-2-pyridinyl)-3-(2-phenylethyl)urea
CID 108888073
1-[2-(4-bromophenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea
CID 108902373
1-(3-chloro-2-methylphenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894261
1-[3-(4-tert-butylphenoxy)propyl]-3-(6-methyl-2-pyridinyl)urea
CID 108882838
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
ethyl N-(6-methyl-2-pyridinyl)carbamate
CID 5197559
2-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 1431338

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxymethyl)-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(2-methoxyethoxymethyl)-3-(6-methyl-2-pyridinyl)urea (CID 108894432) is 1-(2-methoxyethoxymethyl)-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(2-methoxyethoxymethyl)-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(2-methoxyethoxymethyl)-3-(6-methyl-2-pyridinyl)urea is COCCOCNC(=O)Nc1cccc(C)n1.
What is the InChIKey of 1-(2-methoxyethoxymethyl)-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is DBWJCXKUVBKFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-9-4-3-5-10(13-9)14-11(15)12-8-17-7-6-16-2/h3-5H,6-8H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 1-(2-methoxyethoxymethyl)-3-(6-methyl-2-pyridinyl)urea?
1-(2-methoxyethoxymethyl)-3-(6-methyl-2-pyridinyl)urea has a molecular weight of 239.28 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxymethyl)-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 108894432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).