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

C12H21N5O — CID 83117476

IUPAC3-[2-[[6-(ethylamino)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea
SMILESCCNc1cccc(NCCNC(=O)N(C)C)n1
InChIInChI=1S/C12H21N5O/c1-4-13-10-6-5-7-11(16-10)14-8-9-15-12(18)17(2)3/h5-7H,4,8-9H2,1-3H3,(H,15,18)(H2,13,14,16)
InChIKeyCKROXAKLAUYDBN-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.20
Rot. Bonds6

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

3-[2-[[6-(ethylamino)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea (PubChem CID 83117476) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[2-[[6-(ethylamino)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[[6-(ethylamino)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea
PubChem CID83117476
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-[2-[[6-(ethylamino)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea
SMILESCCNc1cccc(NCCNC(=O)N(C)C)n1
InChIInChI=1S/C12H21N5O/c1-4-13-10-6-5-7-11(16-10)14-8-9-15-12(18)17(2)3/h5-7H,4,8-9H2,1-3H3,(H,15,18)(H2,13,14,16)
InChIKeyCKROXAKLAUYDBN-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

3-[2-[(6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83112211
3-[[6-(ethylamino)-2-pyridinyl]amino]-N,N-dimethylpropanamide
CID 80813274
3-[2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83121797
2-[[6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide
CID 80787440
methyl 4-[2-(dimethylcarbamoylamino)ethylamino]pyrimidine-2-carboxylate
CID 83114374
N-[2-(dimethylcarbamoylamino)ethyl]-2-(ethylamino)pyridine-4-carboxamide
CID 83115069
3-(2-anilinoethyl)-1,1-dimethylurea
CID 142040993
N-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]acetamide
CID 80786842
2-N-ethyl-6-N-(2-fluoroethyl)pyridine-2,6-diamine
CID 130505047
3-[2-[[5-(ethylamino)-3-pyridinyl]amino]ethyl]-1,1-dimethylurea
CID 104535691
1,1-dimethyl-3-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]urea
CID 83113239
3-[2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
CID 83118642

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[6-(ethylamino)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[[6-(ethylamino)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea (CID 83117476) is 3-[2-[[6-(ethylamino)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[[6-(ethylamino)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[[6-(ethylamino)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea is CCNc1cccc(NCCNC(=O)N(C)C)n1.
What is the InChIKey of 3-[2-[[6-(ethylamino)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea?
The InChIKey is CKROXAKLAUYDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-13-10-6-5-7-11(16-10)14-8-9-15-12(18)17(2)3/h5-7H,4,8-9H2,1-3H3,(H,15,18)(H2,13,14,16).
What are the key properties of 3-[2-[[6-(ethylamino)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea?
3-[2-[[6-(ethylamino)-2-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-[[6-(ethylamino)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83117476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).