N-(1H-imidazol-5-ylmethyl)-2-propan-2-yloxypyridin-3-amine

C12H16N4O — CID 62763918

IUPACN-(1H-imidazol-5-ylmethyl)-2-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1ncccc1NCc1cnc[nH]1
InChIInChI=1S/C12H16N4O/c1-9(2)17-12-11(4-3-5-14-12)15-7-10-6-13-8-16-10/h3-6,8-9,15H,7H2,1-2H3,(H,13,16)
InChIKeyNSDMUSZIUKQYAS-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.20
Rot. Bonds5

About N-(1H-imidazol-5-ylmethyl)-2-propan-2-yloxypyridin-3-amine

N-(1H-imidazol-5-ylmethyl)-2-propan-2-yloxypyridin-3-amine (PubChem CID 62763918) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2-propan-2-yloxypyridin-3-amine
PubChem CID62763918
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1ncccc1NCc1cnc[nH]1
InChIInChI=1S/C12H16N4O/c1-9(2)17-12-11(4-3-5-14-12)15-7-10-6-13-8-16-10/h3-6,8-9,15H,7H2,1-2H3,(H,13,16)
InChIKeyNSDMUSZIUKQYAS-UHFFFAOYSA-N
XLogP2.20
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 66162966
N-ethyl-2-propan-2-yloxypyridin-3-amine
CID 61374229
N-(1H-indol-6-ylmethyl)-2-propan-2-yloxypyridin-3-amine
CID 102910401
N-(1,2-oxazol-4-ylmethyl)-2-propan-2-yloxypyridin-3-amine
CID 61379672
N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375775
N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 63454228
2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine
CID 61375576
N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375572
2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 61373861
N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375574
N-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 102615560
N-(1H-imidazol-5-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine
CID 62763558

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-propan-2-yloxypyridin-3-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-propan-2-yloxypyridin-3-amine (CID 62763918) is N-(1H-imidazol-5-ylmethyl)-2-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2-propan-2-yloxypyridin-3-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2-propan-2-yloxypyridin-3-amine is CC(C)Oc1ncccc1NCc1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2-propan-2-yloxypyridin-3-amine?
The InChIKey is NSDMUSZIUKQYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9(2)17-12-11(4-3-5-14-12)15-7-10-6-13-8-16-10/h3-6,8-9,15H,7H2,1-2H3,(H,13,16).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2-propan-2-yloxypyridin-3-amine?
N-(1H-imidazol-5-ylmethyl)-2-propan-2-yloxypyridin-3-amine has a molecular weight of 232.29 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 62763918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).