3-[2-[[5-(ethylamino)-3-pyridinyl]amino]ethyl]-1,1-dimethylurea

C12H21N5O — CID 104535691

IUPAC3-[2-[[5-(ethylamino)-3-pyridinyl]amino]ethyl]-1,1-dimethylurea
SMILESCCNc1cncc(NCCNC(=O)N(C)C)c1
InChIInChI=1S/C12H21N5O/c1-4-14-10-7-11(9-13-8-10)15-5-6-16-12(18)17(2)3/h7-9,14-15H,4-6H2,1-3H3,(H,16,18)
InChIKeyXYWOBFSITKRHOB-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.20
Rot. Bonds6

About 3-[2-[[5-(ethylamino)-3-pyridinyl]amino]ethyl]-1,1-dimethylurea

3-[2-[[5-(ethylamino)-3-pyridinyl]amino]ethyl]-1,1-dimethylurea (PubChem CID 104535691) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[2-[[5-(ethylamino)-3-pyridinyl]amino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[[5-(ethylamino)-3-pyridinyl]amino]ethyl]-1,1-dimethylurea
PubChem CID104535691
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-[2-[[5-(ethylamino)-3-pyridinyl]amino]ethyl]-1,1-dimethylurea
SMILESCCNc1cncc(NCCNC(=O)N(C)C)c1
InChIInChI=1S/C12H21N5O/c1-4-14-10-7-11(9-13-8-10)15-5-6-16-12(18)17(2)3/h7-9,14-15H,4-6H2,1-3H3,(H,16,18)
InChIKeyXYWOBFSITKRHOB-UHFFFAOYSA-N
XLogP1.20
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea
CID 113424225
3-(2-anilinoethyl)-1,1-dimethylurea
CID 142040993
5-N-butyl-3-N-ethylpyridine-3,5-diamine
CID 104532629
3-[2-[(6-amino-3-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83116884
3-[2-[[6-(ethylamino)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea
CID 83117476
3-N-ethyl-5-N-(2-ethylsulfonylethyl)pyridine-3,5-diamine
CID 114112659
N-ethyl-2-[[5-(propylamino)-3-pyridinyl]amino]acetamide
CID 113423725
3-[2-[(3-amino-5-chloro-4-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 114285886
3-[2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
CID 83118658
2-[[5-(ethylamino)-3-pyridinyl]amino]-N-propan-2-ylacetamide
CID 113423726
3-N-ethyl-5-N-[2-(2-methoxyethoxy)ethyl]pyridine-3,5-diamine
CID 104533940
N-[2-(dimethylcarbamoylamino)ethyl]-2-(ethylamino)pyridine-4-carboxamide
CID 83115069

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[5-(ethylamino)-3-pyridinyl]amino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[[5-(ethylamino)-3-pyridinyl]amino]ethyl]-1,1-dimethylurea (CID 104535691) is 3-[2-[[5-(ethylamino)-3-pyridinyl]amino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[[5-(ethylamino)-3-pyridinyl]amino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[[5-(ethylamino)-3-pyridinyl]amino]ethyl]-1,1-dimethylurea is CCNc1cncc(NCCNC(=O)N(C)C)c1.
What is the InChIKey of 3-[2-[[5-(ethylamino)-3-pyridinyl]amino]ethyl]-1,1-dimethylurea?
The InChIKey is XYWOBFSITKRHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-14-10-7-11(9-13-8-10)15-5-6-16-12(18)17(2)3/h7-9,14-15H,4-6H2,1-3H3,(H,16,18).
What are the key properties of 3-[2-[[5-(ethylamino)-3-pyridinyl]amino]ethyl]-1,1-dimethylurea?
3-[2-[[5-(ethylamino)-3-pyridinyl]amino]ethyl]-1,1-dimethylurea has a molecular weight of 251.33 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[5-(ethylamino)-3-pyridinyl]amino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 104535691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).