1-[(2,4-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea

C16H19N3O2 — CID 108870890

IUPAC1-[(2,4-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)NCOc2ccc(C)cc2C)nc1
InChIInChI=1S/C16H19N3O2/c1-11-4-6-14(13(3)8-11)21-10-18-16(20)19-15-7-5-12(2)9-17-15/h4-9H,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyBDYIRDBHFNFSCA-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.16
Rot. Bonds4

About 1-[(2,4-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea

1-[(2,4-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea (PubChem CID 108870890) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2,4-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea
PubChem CID108870890
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[(2,4-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)NCOc2ccc(C)cc2C)nc1
InChIInChI=1S/C16H19N3O2/c1-11-4-6-14(13(3)8-11)21-10-18-16(20)19-15-7-5-12(2)9-17-15/h4-9H,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyBDYIRDBHFNFSCA-UHFFFAOYSA-N
XLogP3.16
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 837547
1-[(2,3-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea
CID 108878565
1-[(2,4-dimethylphenoxy)methyl]-3-(3,4-dimethylphenyl)urea
CID 108870709
1-[(2,4-dimethylphenoxy)methyl]-3-(4-ethylphenyl)urea
CID 108870703
1-(4-tert-butylphenyl)-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870775
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870790
3-[(2,4-dimethylphenoxy)methylcarbamoylamino]benzoic acid
CID 108870540
1-(5-methyl-2-pyridinyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879684
1-[(2,4-dimethylphenoxy)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 108870558
1-[(2,4-dimethylphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108870672
1-[2-(3-methylphenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea
CID 108900857
1-(2-methoxyethyl)-3-(5-methyl-2-pyridinyl)urea
CID 84600557

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[(2,4-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea (CID 108870890) is 1-[(2,4-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[(2,4-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[(2,4-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea is Cc1ccc(NC(=O)NCOc2ccc(C)cc2C)nc1.
What is the InChIKey of 1-[(2,4-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea?
The InChIKey is BDYIRDBHFNFSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-4-6-14(13(3)8-11)21-10-18-16(20)19-15-7-5-12(2)9-17-15/h4-9H,10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 1-[(2,4-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea?
1-[(2,4-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea has a molecular weight of 285.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea is sourced from PubChem (CID 108870890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).