4-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylpyridin-2-amine

C13H18N4 — CID 62466356

IUPAC4-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1cc(Cn2cnc(C)c2C)ccn1
InChIInChI=1S/C13H18N4/c1-4-14-13-7-12(5-6-15-13)8-17-9-16-10(2)11(17)3/h5-7,9H,4,8H2,1-3H3,(H,14,15)
InChIKeyUBKLCFWYYDNURJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.38
Rot. Bonds4

About 4-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylpyridin-2-amine

4-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylpyridin-2-amine (PubChem CID 62466356) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name4-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylpyridin-2-amine
PubChem CID62466356
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name4-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1cc(Cn2cnc(C)c2C)ccn1
InChIInChI=1S/C13H18N4/c1-4-14-13-7-12(5-6-15-13)8-17-9-16-10(2)11(17)3/h5-7,9H,4,8H2,1-3H3,(H,14,15)
InChIKeyUBKLCFWYYDNURJ-UHFFFAOYSA-N
XLogP2.38
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine
CID 62464370
3-[[2-(ethylamino)-4-pyridinyl]methyl]quinazolin-4-one
CID 62464027
N-ethyl-4-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine
CID 62465995
4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine
CID 115648480
3-[[2-(ethylamino)-4-pyridinyl]methyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63310569
5-bromo-3-[(2-hydrazinyl-4-pyridinyl)methyl]-6-methylpyrimidin-4-one
CID 66310265
3-[[2-(ethylamino)-4-pyridinyl]methyl]-5-iodo-2-methylpyrimidin-4-one
CID 66342277
1-[[2-(ethylamino)-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one
CID 62466498
4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine-2-carboximidamide
CID 63882416
[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methanamine
CID 62350541
1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole
CID 115624826
2-[[2-(ethylamino)-4-pyridinyl]methyl]pyridazin-3-one
CID 62850152

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylpyridin-2-amine?
The IUPAC name of 4-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylpyridin-2-amine (CID 62466356) is 4-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 4-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 4-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylpyridin-2-amine is CCNc1cc(Cn2cnc(C)c2C)ccn1.
What is the InChIKey of 4-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylpyridin-2-amine?
The InChIKey is UBKLCFWYYDNURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-4-14-13-7-12(5-6-15-13)8-17-9-16-10(2)11(17)3/h5-7,9H,4,8H2,1-3H3,(H,14,15).
What are the key properties of 4-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylpyridin-2-amine?
4-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylpyridin-2-amine has a molecular weight of 230.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 62466356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).