5-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)pyridin-3-amine

C13H16N4 — CID 107587294

IUPAC5-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)pyridin-3-amine
SMILESC=CCn1cc(C)nc1Nc1cncc(C)c1
InChIInChI=1S/C13H16N4/c1-4-5-17-9-11(3)15-13(17)16-12-6-10(2)7-14-8-12/h4,6-9H,1,5H2,2-3H3,(H,15,16)
InChIKeyZFKFUYMTMWZDFM-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.82
Rot. Bonds4

About 5-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)pyridin-3-amine

5-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)pyridin-3-amine (PubChem CID 107587294) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)pyridin-3-amine
PubChem CID107587294
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name5-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)pyridin-3-amine
SMILESC=CCn1cc(C)nc1Nc1cncc(C)c1
InChIInChI=1S/C13H16N4/c1-4-5-17-9-11(3)15-13(17)16-12-6-10(2)7-14-8-12/h4,6-9H,1,5H2,2-3H3,(H,15,16)
InChIKeyZFKFUYMTMWZDFM-UHFFFAOYSA-N
XLogP2.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)pyridin-3-amine?
The IUPAC name of 5-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)pyridin-3-amine (CID 107587294) is 5-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)pyridin-3-amine.
What is the SMILES notation for 5-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)pyridin-3-amine?
The canonical SMILES for 5-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)pyridin-3-amine is C=CCn1cc(C)nc1Nc1cncc(C)c1.
What is the InChIKey of 5-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)pyridin-3-amine?
The InChIKey is ZFKFUYMTMWZDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-4-5-17-9-11(3)15-13(17)16-12-6-10(2)7-14-8-12/h4,6-9H,1,5H2,2-3H3,(H,15,16).
What are the key properties of 5-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)pyridin-3-amine?
5-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)pyridin-3-amine has a molecular weight of 228.30 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)pyridin-3-amine is sourced from PubChem (CID 107587294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).