3-(3-butan-2-ylimidazol-4-yl)pyridin-2-amine

C12H16N4 — CID 114717187

IUPAC3-(3-butan-2-ylimidazol-4-yl)pyridin-2-amine
SMILESCCC(C)n1cncc1-c1cccnc1N
InChIInChI=1S/C12H16N4/c1-3-9(2)16-8-14-7-11(16)10-5-4-6-15-12(10)13/h4-9H,3H2,1-2H3,(H2,13,15)
InChIKeyCAXWKMLZKFFTLX-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.50
Rot. Bonds3

About 3-(3-butan-2-ylimidazol-4-yl)pyridin-2-amine

3-(3-butan-2-ylimidazol-4-yl)pyridin-2-amine (PubChem CID 114717187) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 3-(3-butan-2-ylimidazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(3-butan-2-ylimidazol-4-yl)pyridin-2-amine
PubChem CID114717187
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name3-(3-butan-2-ylimidazol-4-yl)pyridin-2-amine
SMILESCCC(C)n1cncc1-c1cccnc1N
InChIInChI=1S/C12H16N4/c1-3-9(2)16-8-14-7-11(16)10-5-4-6-15-12(10)13/h4-9H,3H2,1-2H3,(H2,13,15)
InChIKeyCAXWKMLZKFFTLX-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-pent-4-yn-2-ylimidazol-4-yl)pyridin-2-amine
CID 114722187
3-[3-[4-(dimethylamino)butan-2-yl]imidazol-4-yl]pyridin-2-amine
CID 114719339
3-(3-but-3-en-2-ylimidazol-4-yl)pyridin-2-amine
CID 114722123
3-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 114717857
2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylpropanamide
CID 114721812
3-[3-(1-cyclopentylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720645
methyl 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]propanoate
CID 114718970
3-[3-(1-thiophen-3-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720041
3-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]pyridin-2-amine
CID 114719040
3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114719316
3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114722496
3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114722289

Frequently Asked Questions

What is the IUPAC name of 3-(3-butan-2-ylimidazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-(3-butan-2-ylimidazol-4-yl)pyridin-2-amine (CID 114717187) is 3-(3-butan-2-ylimidazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-(3-butan-2-ylimidazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-(3-butan-2-ylimidazol-4-yl)pyridin-2-amine is CCC(C)n1cncc1-c1cccnc1N.
What is the InChIKey of 3-(3-butan-2-ylimidazol-4-yl)pyridin-2-amine?
The InChIKey is CAXWKMLZKFFTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-9(2)16-8-14-7-11(16)10-5-4-6-15-12(10)13/h4-9H,3H2,1-2H3,(H2,13,15).
What are the key properties of 3-(3-butan-2-ylimidazol-4-yl)pyridin-2-amine?
3-(3-butan-2-ylimidazol-4-yl)pyridin-2-amine has a molecular weight of 216.29 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butan-2-ylimidazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 114717187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).