1-[(3,4-dimethylphenoxy)methyl]-3-(6-methyl-2-pyridinyl)urea

C16H19N3O2 — CID 108879152

IUPAC1-[(3,4-dimethylphenoxy)methyl]-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)NCOc2ccc(C)c(C)c2)n1
InChIInChI=1S/C16H19N3O2/c1-11-7-8-14(9-12(11)2)21-10-17-16(20)19-15-6-4-5-13(3)18-15/h4-9H,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyFHTUFCSYQKMDHW-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.16
Rot. Bonds4

About 1-[(3,4-dimethylphenoxy)methyl]-3-(6-methyl-2-pyridinyl)urea

1-[(3,4-dimethylphenoxy)methyl]-3-(6-methyl-2-pyridinyl)urea (PubChem CID 108879152) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenoxy)methyl]-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[(3,4-dimethylphenoxy)methyl]-3-(6-methyl-2-pyridinyl)urea
PubChem CID108879152
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[(3,4-dimethylphenoxy)methyl]-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)NCOc2ccc(C)c(C)c2)n1
InChIInChI=1S/C16H19N3O2/c1-11-7-8-14(9-12(11)2)21-10-17-16(20)19-15-6-4-5-13(3)18-15/h4-9H,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyFHTUFCSYQKMDHW-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

1-[(3,4-dimethylphenoxy)methyl]-3-pyridin-2-ylurea
CID 108879154
1-[(3,4-dimethylphenoxy)methyl]-3-(2,6-dimethylphenyl)urea
CID 108879253
1-[(3,4-dimethylphenoxy)methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108879137
1-[(3,4-dimethylphenoxy)methyl]-3-pyrimidin-2-ylurea
CID 108879109
1-[(3,4-dimethylphenoxy)methyl]-3-naphthalen-1-ylurea
CID 108879176
1-(2-methoxyethoxymethyl)-3-(6-methyl-2-pyridinyl)urea
CID 108894432
1-(6-methyl-2-pyridinyl)-3-(2-phenoxyethyl)urea
CID 108887059
1-(3-chloro-2-methylphenyl)-3-[(3,4-dimethylphenoxy)methyl]urea
CID 108878981
1-(6-methyl-2-pyridinyl)-3-(3-phenoxypropyl)urea
CID 108883164
1-[3-(4-tert-butylphenoxy)propyl]-3-(6-methyl-2-pyridinyl)urea
CID 108882838
1-[(3,4-dimethylphenoxy)methyl]-3-(3-nitrophenyl)urea
CID 108879061
2-[4-[(3,4-dimethylphenoxy)methylcarbamoylamino]phenyl]acetic acid
CID 108879120

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenoxy)methyl]-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[(3,4-dimethylphenoxy)methyl]-3-(6-methyl-2-pyridinyl)urea (CID 108879152) is 1-[(3,4-dimethylphenoxy)methyl]-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[(3,4-dimethylphenoxy)methyl]-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[(3,4-dimethylphenoxy)methyl]-3-(6-methyl-2-pyridinyl)urea is Cc1cccc(NC(=O)NCOc2ccc(C)c(C)c2)n1.
What is the InChIKey of 1-[(3,4-dimethylphenoxy)methyl]-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is FHTUFCSYQKMDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-7-8-14(9-12(11)2)21-10-17-16(20)19-15-6-4-5-13(3)18-15/h4-9H,10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 1-[(3,4-dimethylphenoxy)methyl]-3-(6-methyl-2-pyridinyl)urea?
1-[(3,4-dimethylphenoxy)methyl]-3-(6-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-[(3,4-dimethylphenoxy)methyl]-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 108879152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).