N-tert-butyl-6-imidazol-1-ylpyridin-3-amine

C12H16N4 — CID 167253831

IUPACN-tert-butyl-6-imidazol-1-ylpyridin-3-amine
SMILESCC(C)(C)Nc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C12H16N4/c1-12(2,3)15-10-4-5-11(14-8-10)16-7-6-13-9-16/h4-9,15H,1-3H3
InChIKeyNYFRAEPIMJBHCN-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.48
Rot. Bonds2

About N-tert-butyl-6-imidazol-1-ylpyridin-3-amine

N-tert-butyl-6-imidazol-1-ylpyridin-3-amine (PubChem CID 167253831) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-tert-butyl-6-imidazol-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-6-imidazol-1-ylpyridin-3-amine
PubChem CID167253831
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-tert-butyl-6-imidazol-1-ylpyridin-3-amine
SMILESCC(C)(C)Nc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C12H16N4/c1-12(2,3)15-10-4-5-11(14-8-10)16-7-6-13-9-16/h4-9,15H,1-3H3
InChIKeyNYFRAEPIMJBHCN-UHFFFAOYSA-N
XLogP2.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-imidazol-1-yl-N-propylpyridin-3-amine
CID 43710767
2-ethyl-2-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]butan-1-ol
CID 81413209
N-(6-imidazol-1-yl-3-pyridinyl)ethanesulfonamide
CID 64592738
N-benzyl-6-imidazol-1-ylpyridin-3-amine
CID 43710619
6-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]pyridin-3-amine
CID 62957017
N-[(1-ethylpyrazol-4-yl)methyl]-6-imidazol-1-ylpyridin-3-amine
CID 103934270
N-heptan-3-yl-6-imidazol-1-ylpyridin-3-amine
CID 63945117
N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 35437719
6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine
CID 43710701
6-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine
CID 66410557
6-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine
CID 43710494
N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide
CID 35437698

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-imidazol-1-ylpyridin-3-amine?
The IUPAC name of N-tert-butyl-6-imidazol-1-ylpyridin-3-amine (CID 167253831) is N-tert-butyl-6-imidazol-1-ylpyridin-3-amine.
What is the SMILES notation for N-tert-butyl-6-imidazol-1-ylpyridin-3-amine?
The canonical SMILES for N-tert-butyl-6-imidazol-1-ylpyridin-3-amine is CC(C)(C)Nc1ccc(-n2ccnc2)nc1.
What is the InChIKey of N-tert-butyl-6-imidazol-1-ylpyridin-3-amine?
The InChIKey is NYFRAEPIMJBHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-12(2,3)15-10-4-5-11(14-8-10)16-7-6-13-9-16/h4-9,15H,1-3H3.
What are the key properties of N-tert-butyl-6-imidazol-1-ylpyridin-3-amine?
N-tert-butyl-6-imidazol-1-ylpyridin-3-amine has a molecular weight of 216.29 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-imidazol-1-ylpyridin-3-amine is sourced from PubChem (CID 167253831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).