[2-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methanamine

C11H14N4 — CID 62352301

IUPAC[2-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methanamine
SMILESCc1ncn(-c2ncccc2CN)c1C
InChIInChI=1S/C11H14N4/c1-8-9(2)15(7-14-8)11-10(6-12)4-3-5-13-11/h3-5,7H,6,12H2,1-2H3
InChIKeyBVCWTIFBCZCRFA-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.34
Rot. Bonds2

About [2-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methanamine

[2-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methanamine (PubChem CID 62352301) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is [2-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methanamine
PubChem CID62352301
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name[2-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methanamine
SMILESCc1ncn(-c2ncccc2CN)c1C
InChIInChI=1S/C11H14N4/c1-8-9(2)15(7-14-8)11-10(6-12)4-3-5-13-11/h3-5,7H,6,12H2,1-2H3
InChIKeyBVCWTIFBCZCRFA-UHFFFAOYSA-N
XLogP1.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methanamine (CID 62352301) is [2-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methanamine is Cc1ncn(-c2ncccc2CN)c1C.
What is the InChIKey of [2-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methanamine?
The InChIKey is BVCWTIFBCZCRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-8-9(2)15(7-14-8)11-10(6-12)4-3-5-13-11/h3-5,7H,6,12H2,1-2H3.
What are the key properties of [2-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methanamine?
[2-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methanamine has a molecular weight of 202.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 62352301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).