3-[(1-ethylimidazol-2-yl)methyl]-5-methylpyridin-2-amine

C12H16N4 — CID 79761192

IUPAC3-[(1-ethylimidazol-2-yl)methyl]-5-methylpyridin-2-amine
SMILESCCn1ccnc1Cc1cc(C)cnc1N
InChIInChI=1S/C12H16N4/c1-3-16-5-4-14-11(16)7-10-6-9(2)8-15-12(10)13/h4-6,8H,3,7H2,1-2H3,(H2,13,15)
InChIKeyXBFICDASIWNZFL-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.78
Rot. Bonds3

About 3-[(1-ethylimidazol-2-yl)methyl]-5-methylpyridin-2-amine

3-[(1-ethylimidazol-2-yl)methyl]-5-methylpyridin-2-amine (PubChem CID 79761192) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 3-[(1-ethylimidazol-2-yl)methyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[(1-ethylimidazol-2-yl)methyl]-5-methylpyridin-2-amine
PubChem CID79761192
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name3-[(1-ethylimidazol-2-yl)methyl]-5-methylpyridin-2-amine
SMILESCCn1ccnc1Cc1cc(C)cnc1N
InChIInChI=1S/C12H16N4/c1-3-16-5-4-14-11(16)7-10-6-9(2)8-15-12(10)13/h4-6,8H,3,7H2,1-2H3,(H2,13,15)
InChIKeyXBFICDASIWNZFL-UHFFFAOYSA-N
XLogP1.78
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-[(1-ethylimidazol-2-yl)methyl]aniline
CID 107615879
3-methyl-5-[(1-propylimidazol-2-yl)methyl]pyridin-2-amine
CID 83170955
1-(3,5-dimethyl-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 113365596
5-[(1-ethylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 79737828
4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-2-methylpyrimidine
CID 79738348
[2-[(1-ethylimidazol-2-yl)methyl]-4-pyridinyl]hydrazine
CID 102825315
2-[(1-ethylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 116795282
2-chloro-4-[(1-ethylimidazol-2-yl)methyl]-6-methylpyrimidine
CID 79739014
6-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethylpyrimidin-4-amine
CID 79737865
3-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 64666437
1-ethyl-2-(iodomethyl)imidazole
CID 64786618
[(3,5-dimethyl-2-pyridinyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105266290

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylimidazol-2-yl)methyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-[(1-ethylimidazol-2-yl)methyl]-5-methylpyridin-2-amine (CID 79761192) is 3-[(1-ethylimidazol-2-yl)methyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-[(1-ethylimidazol-2-yl)methyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-[(1-ethylimidazol-2-yl)methyl]-5-methylpyridin-2-amine is CCn1ccnc1Cc1cc(C)cnc1N.
What is the InChIKey of 3-[(1-ethylimidazol-2-yl)methyl]-5-methylpyridin-2-amine?
The InChIKey is XBFICDASIWNZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-16-5-4-14-11(16)7-10-6-9(2)8-15-12(10)13/h4-6,8H,3,7H2,1-2H3,(H2,13,15).
What are the key properties of 3-[(1-ethylimidazol-2-yl)methyl]-5-methylpyridin-2-amine?
3-[(1-ethylimidazol-2-yl)methyl]-5-methylpyridin-2-amine has a molecular weight of 216.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylimidazol-2-yl)methyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 79761192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).