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

C12H20N4O2 — CID 83121386

IUPAC3-[2-[(6-methoxy-2-pyridinyl)methylamino]ethyl]-1,1-dimethylurea
SMILESCOc1cccc(CNCCNC(=O)N(C)C)n1
InChIInChI=1S/C12H20N4O2/c1-16(2)12(17)14-8-7-13-9-10-5-4-6-11(15-10)18-3/h4-6,13H,7-9H2,1-3H3,(H,14,17)
InChIKeyOCKLIDNPYLXQPK-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.45
Rot. Bonds6

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

3-[2-[(6-methoxy-2-pyridinyl)methylamino]ethyl]-1,1-dimethylurea (PubChem CID 83121386) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[2-[(6-methoxy-2-pyridinyl)methylamino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[(6-methoxy-2-pyridinyl)methylamino]ethyl]-1,1-dimethylurea
PubChem CID83121386
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-[2-[(6-methoxy-2-pyridinyl)methylamino]ethyl]-1,1-dimethylurea
SMILESCOc1cccc(CNCCNC(=O)N(C)C)n1
InChIInChI=1S/C12H20N4O2/c1-16(2)12(17)14-8-7-13-9-10-5-4-6-11(15-10)18-3/h4-6,13H,7-9H2,1-3H3,(H,14,17)
InChIKeyOCKLIDNPYLXQPK-UHFFFAOYSA-N
XLogP0.45
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.45
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-[2-[(6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83112211
3-bromo-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 114293547
3-[2-[(2-methoxyphenyl)methylamino]ethyl]-1,1-dimethylurea
CID 83116563
3-[2-[(2,3-dihydroxyphenyl)methylamino]ethyl]-1,1-dimethylurea
CID 83116209
N',N'-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine
CID 63993512
6-iodo-N-[(6-methoxy-2-pyridinyl)methyl]hexan-1-amine
CID 107844830
tert-butyl N-[1-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 104624594
3-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83116624
[4-[[(6-methoxy-2-pyridinyl)methylamino]methyl]phenyl]methanol
CID 107230279
2-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 63991750
N'-[(6-methoxy-2-pyridinyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 63991759
N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 63984106

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(6-methoxy-2-pyridinyl)methylamino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[(6-methoxy-2-pyridinyl)methylamino]ethyl]-1,1-dimethylurea (CID 83121386) is 3-[2-[(6-methoxy-2-pyridinyl)methylamino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[(6-methoxy-2-pyridinyl)methylamino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[(6-methoxy-2-pyridinyl)methylamino]ethyl]-1,1-dimethylurea is COc1cccc(CNCCNC(=O)N(C)C)n1.
What is the InChIKey of 3-[2-[(6-methoxy-2-pyridinyl)methylamino]ethyl]-1,1-dimethylurea?
The InChIKey is OCKLIDNPYLXQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-16(2)12(17)14-8-7-13-9-10-5-4-6-11(15-10)18-3/h4-6,13H,7-9H2,1-3H3,(H,14,17).
What are the key properties of 3-[2-[(6-methoxy-2-pyridinyl)methylamino]ethyl]-1,1-dimethylurea?
3-[2-[(6-methoxy-2-pyridinyl)methylamino]ethyl]-1,1-dimethylurea has a molecular weight of 252.32 g/mol, XLogP of 0.45, 6 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)methylamino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83121386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).