4-[3-(3-methylbut-2-enyl)imidazol-4-yl]pyridin-2-amine

C13H16N4 — CID 106194333

IUPAC4-[3-(3-methylbut-2-enyl)imidazol-4-yl]pyridin-2-amine
SMILESCC(C)=CCn1cncc1-c1ccnc(N)c1
InChIInChI=1S/C13H16N4/c1-10(2)4-6-17-9-15-8-12(17)11-3-5-16-13(14)7-11/h3-5,7-9H,6H2,1-2H3,(H2,14,16)
InChIKeyAFKBGXLCYRMVRL-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.49
Rot. Bonds3

About 4-[3-(3-methylbut-2-enyl)imidazol-4-yl]pyridin-2-amine

4-[3-(3-methylbut-2-enyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 106194333) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-[3-(3-methylbut-2-enyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(3-methylbut-2-enyl)imidazol-4-yl]pyridin-2-amine
PubChem CID106194333
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-[3-(3-methylbut-2-enyl)imidazol-4-yl]pyridin-2-amine
SMILESCC(C)=CCn1cncc1-c1ccnc(N)c1
InChIInChI=1S/C13H16N4/c1-10(2)4-6-17-9-15-8-12(17)11-3-5-16-13(14)7-11/h3-5,7-9H,6H2,1-2H3,(H2,14,16)
InChIKeyAFKBGXLCYRMVRL-UHFFFAOYSA-N
XLogP2.49
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(3-pentylimidazol-4-yl)pyridin-2-amine
CID 114716246
4-[3-(2-methylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114719950
4-[[5-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenol
CID 114722613
4-[3-(2,3,3-trimethylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114721670
3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-N,N-dimethylpropanamide
CID 114718794
4-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114720279
ethyl 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate
CID 114719027
4-[3-(cyclobutylmethyl)imidazol-4-yl]pyridin-2-amine
CID 114715991
4-[3-[(4,5-dimethylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114720701
4-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-2-amine
CID 114722232
4-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]pyridin-2-amine
CID 106040949
4-[3-[(2-methylcyclopentyl)methyl]imidazol-4-yl]pyridin-2-amine
CID 107421498

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methylbut-2-enyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[3-(3-methylbut-2-enyl)imidazol-4-yl]pyridin-2-amine (CID 106194333) is 4-[3-(3-methylbut-2-enyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-(3-methylbut-2-enyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-(3-methylbut-2-enyl)imidazol-4-yl]pyridin-2-amine is CC(C)=CCn1cncc1-c1ccnc(N)c1.
What is the InChIKey of 4-[3-(3-methylbut-2-enyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is AFKBGXLCYRMVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10(2)4-6-17-9-15-8-12(17)11-3-5-16-13(14)7-11/h3-5,7-9H,6H2,1-2H3,(H2,14,16).
What are the key properties of 4-[3-(3-methylbut-2-enyl)imidazol-4-yl]pyridin-2-amine?
4-[3-(3-methylbut-2-enyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 228.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methylbut-2-enyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 106194333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).