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

C11H19N5O2 — CID 83116624

IUPAC3-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
SMILESCOc1ccc(N)c(NCCNC(=O)N(C)C)n1
InChIInChI=1S/C11H19N5O2/c1-16(2)11(17)14-7-6-13-10-8(12)4-5-9(15-10)18-3/h4-5H,6-7,12H2,1-3H3,(H,13,15)(H,14,17)
InChIKeyCAICABMDMXVWBQ-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.36
Rot. Bonds5

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

3-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea (PubChem CID 83116624) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
PubChem CID83116624
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name3-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
SMILESCOc1ccc(N)c(NCCNC(=O)N(C)C)n1
InChIInChI=1S/C11H19N5O2/c1-16(2)11(17)14-7-6-13-10-8(12)4-5-9(15-10)18-3/h4-5H,6-7,12H2,1-3H3,(H,13,15)(H,14,17)
InChIKeyCAICABMDMXVWBQ-UHFFFAOYSA-N
XLogP0.36
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83114496
2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethanol;dihydrochloride
CID 3019251
3-[2-[(6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83112211
ethyl 3-[(3-amino-6-methoxy-2-pyridinyl)amino]propanoate
CID 113286520
2-N-butyl-6-methoxypyridine-2,3-diamine
CID 115320288
6-methoxy-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 115320787
1-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141783
6-methoxy-2-N-[2-(2-methylphenyl)ethyl]pyridine-2,3-diamine
CID 115320941
6-methoxy-2-N-(2-methylprop-2-enyl)pyridine-2,3-diamine
CID 114615186
tert-butyl N-[3-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate
CID 68628541
3-[2-[(6-methoxy-2-pyridinyl)methylamino]ethyl]-1,1-dimethylurea
CID 83121386
3-[2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83117234

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea (CID 83116624) is 3-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea is COc1ccc(N)c(NCCNC(=O)N(C)C)n1.
What is the InChIKey of 3-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea?
The InChIKey is CAICABMDMXVWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-16(2)11(17)14-7-6-13-10-8(12)4-5-9(15-10)18-3/h4-5H,6-7,12H2,1-3H3,(H,13,15)(H,14,17).
What are the key properties of 3-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea?
3-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea has a molecular weight of 253.31 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83116624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).