3-[2-[(6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea

C11H18N4O2 — CID 83112211

IUPAC3-[2-[(6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
SMILESCOc1cccc(NCCNC(=O)N(C)C)n1
InChIInChI=1S/C11H18N4O2/c1-15(2)11(16)13-8-7-12-9-5-4-6-10(14-9)17-3/h4-6H,7-8H2,1-3H3,(H,12,14)(H,13,16)
InChIKeyXVELLPYDPXMACZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.77
Rot. Bonds5

About 3-[2-[(6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea

3-[2-[(6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea (PubChem CID 83112211) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[2-[(6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[(6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
PubChem CID83112211
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-[2-[(6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
SMILESCOc1cccc(NCCNC(=O)N(C)C)n1
InChIInChI=1S/C11H18N4O2/c1-15(2)11(16)13-8-7-12-9-5-4-6-10(14-9)17-3/h4-6H,7-8H2,1-3H3,(H,12,14)(H,13,16)
InChIKeyXVELLPYDPXMACZ-UHFFFAOYSA-N
XLogP0.77
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(6-methoxy-2-pyridinyl)amino]-N,N-dimethylpropanamide
CID 63590933
3-[2-[[6-(ethylamino)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea
CID 83117476
3-[2-[(6-methoxy-2-pyridinyl)methylamino]ethyl]-1,1-dimethylurea
CID 83121386
methyl 4-[2-(dimethylcarbamoylamino)ethylamino]pyrimidine-2-carboxylate
CID 83114374
3-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83116624
3-[2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83121797
3-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83114496
6-[(6-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848852
6-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 63965022
methyl 4-[(6-methoxy-2-pyridinyl)amino]-3-oxobutanoate
CID 167160763
N-(6-methoxy-2-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 63590212
1-N-(6-methoxy-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 63590945

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[(6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea (CID 83112211) is 3-[2-[(6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[(6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[(6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea is COc1cccc(NCCNC(=O)N(C)C)n1.
What is the InChIKey of 3-[2-[(6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea?
The InChIKey is XVELLPYDPXMACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-15(2)11(16)13-8-7-12-9-5-4-6-10(14-9)17-3/h4-6H,7-8H2,1-3H3,(H,12,14)(H,13,16).
What are the key properties of 3-[2-[(6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea?
3-[2-[(6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea has a molecular weight of 238.29 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83112211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).