3-(2,6-dimethyl-4-pyridinyl)-1-(2-imidazol-1-ylethyl)-1-methylurea

C14H19N5O — CID 167968519

IUPAC3-(2,6-dimethyl-4-pyridinyl)-1-(2-imidazol-1-ylethyl)-1-methylurea
SMILESCc1cc(NC(=O)N(C)CCn2ccnc2)cc(C)n1
InChIInChI=1S/C14H19N5O/c1-11-8-13(9-12(2)16-11)17-14(20)18(3)6-7-19-5-4-15-10-19/h4-5,8-10H,6-7H2,1-3H3,(H,16,17,20)
InChIKeyUCTGDACUUJXKQD-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.06
Rot. Bonds4

About 3-(2,6-dimethyl-4-pyridinyl)-1-(2-imidazol-1-ylethyl)-1-methylurea

3-(2,6-dimethyl-4-pyridinyl)-1-(2-imidazol-1-ylethyl)-1-methylurea (PubChem CID 167968519) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(2,6-dimethyl-4-pyridinyl)-1-(2-imidazol-1-ylethyl)-1-methylurea.

Molecular Properties

Compound Name3-(2,6-dimethyl-4-pyridinyl)-1-(2-imidazol-1-ylethyl)-1-methylurea
PubChem CID167968519
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-(2,6-dimethyl-4-pyridinyl)-1-(2-imidazol-1-ylethyl)-1-methylurea
SMILESCc1cc(NC(=O)N(C)CCn2ccnc2)cc(C)n1
InChIInChI=1S/C14H19N5O/c1-11-8-13(9-12(2)16-11)17-14(20)18(3)6-7-19-5-4-15-10-19/h4-5,8-10H,6-7H2,1-3H3,(H,16,17,20)
InChIKeyUCTGDACUUJXKQD-UHFFFAOYSA-N
XLogP2.06
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-(2-imidazol-1-ylethyl)-1-methylurea
CID 125439891
1-(2-imidazol-1-ylethyl)-1-methyl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 119067663
1-(2-imidazol-1-ylethyl)-3-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylurea
CID 126433948
1-(3-imidazol-1-ylpropyl)-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 71915368
N-(2-imidazol-1-ylethyl)-N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 29152157
methyl 4-(2-imidazol-1-ylethylamino)-6-methylpyrimidine-2-carboxylate
CID 66286852
3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid
CID 61492835
2-amino-2-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methylacetamide
CID 166270569
1-(3,5-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)thiourea
CID 4506024
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-imidazol-1-ylethyl)-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146101421
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(imidazol-1-ylmethyl)-N-methylcyclopropane-1-carboxamide
CID 118795104
tert-butyl N-(2-hydroxyethyl)-N-methylcarbamate;tert-butyl N-(2-imidazol-1-ylethyl)-N-methylcarbamate;2-imidazol-1-yl-N-methylethanamine;2-(methylamino)ethanol
CID 158042197

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethyl-4-pyridinyl)-1-(2-imidazol-1-ylethyl)-1-methylurea?
The IUPAC name of 3-(2,6-dimethyl-4-pyridinyl)-1-(2-imidazol-1-ylethyl)-1-methylurea (CID 167968519) is 3-(2,6-dimethyl-4-pyridinyl)-1-(2-imidazol-1-ylethyl)-1-methylurea.
What is the SMILES notation for 3-(2,6-dimethyl-4-pyridinyl)-1-(2-imidazol-1-ylethyl)-1-methylurea?
The canonical SMILES for 3-(2,6-dimethyl-4-pyridinyl)-1-(2-imidazol-1-ylethyl)-1-methylurea is Cc1cc(NC(=O)N(C)CCn2ccnc2)cc(C)n1.
What is the InChIKey of 3-(2,6-dimethyl-4-pyridinyl)-1-(2-imidazol-1-ylethyl)-1-methylurea?
The InChIKey is UCTGDACUUJXKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11-8-13(9-12(2)16-11)17-14(20)18(3)6-7-19-5-4-15-10-19/h4-5,8-10H,6-7H2,1-3H3,(H,16,17,20).
What are the key properties of 3-(2,6-dimethyl-4-pyridinyl)-1-(2-imidazol-1-ylethyl)-1-methylurea?
3-(2,6-dimethyl-4-pyridinyl)-1-(2-imidazol-1-ylethyl)-1-methylurea has a molecular weight of 273.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethyl-4-pyridinyl)-1-(2-imidazol-1-ylethyl)-1-methylurea is sourced from PubChem (CID 167968519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).