5-[5-phenyl-3-(2-pyridin-3-yloxypropyl)imidazol-4-yl]pyrimidin-2-amine

C21H20N6O — CID 50960962

IUPAC5-[5-phenyl-3-(2-pyridin-3-yloxypropyl)imidazol-4-yl]pyrimidin-2-amine
SMILESCC(Cn1cnc(-c2ccccc2)c1-c1cnc(N)nc1)Oc1cccnc1
InChIInChI=1S/C21H20N6O/c1-15(28-18-8-5-9-23-12-18)13-27-14-26-19(16-6-3-2-4-7-16)20(27)17-10-24-21(22)25-11-17/h2-12,14-15H,13H2,1H3,(H2,22,24,25)
InChIKeyIWYIVCRPIZGAGT-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.45
Rot. Bonds6

About 5-[5-phenyl-3-(2-pyridin-3-yloxypropyl)imidazol-4-yl]pyrimidin-2-amine

5-[5-phenyl-3-(2-pyridin-3-yloxypropyl)imidazol-4-yl]pyrimidin-2-amine (PubChem CID 50960962) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 5-[5-phenyl-3-(2-pyridin-3-yloxypropyl)imidazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-phenyl-3-(2-pyridin-3-yloxypropyl)imidazol-4-yl]pyrimidin-2-amine
PubChem CID50960962
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name5-[5-phenyl-3-(2-pyridin-3-yloxypropyl)imidazol-4-yl]pyrimidin-2-amine
SMILESCC(Cn1cnc(-c2ccccc2)c1-c1cnc(N)nc1)Oc1cccnc1
InChIInChI=1S/C21H20N6O/c1-15(28-18-8-5-9-23-12-18)13-27-14-26-19(16-6-3-2-4-7-16)20(27)17-10-24-21(22)25-11-17/h2-12,14-15H,13H2,1H3,(H2,22,24,25)
InChIKeyIWYIVCRPIZGAGT-UHFFFAOYSA-N
XLogP3.45
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[5-(2-methoxypyrimidin-5-yl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine
CID 50963605
3-(2-methylpropyl)-5-phenylimidazol-4-amine
CID 62017938
(1R)-2-[5-(2-ethoxyphenyl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol
CID 95127760
(1S)-2-(4,5-diphenylimidazol-1-yl)-1-phenylethanol
CID 11850984
4-[(1R)-1-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)ethyl]phenol
CID 95120357
2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol
CID 50967271
2-pyridin-3-yloxypropanoic acid
CID 22668209
4,5-diphenyl-1-propylimidazole
CID 14950648
2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)acetic acid
CID 70723096
(2S)-3-[5-(2,6-dimethylphenyl)-4-phenylimidazol-1-yl]propane-1,2-diol
CID 95126287
4-[3-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-5-phenylimidazol-4-yl]phenol
CID 95120001
1-carbazol-9-yl-3-(4,5-diphenylimidazol-1-yl)propan-2-ol
CID 2836174

Frequently Asked Questions

What is the IUPAC name of 5-[5-phenyl-3-(2-pyridin-3-yloxypropyl)imidazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-[5-phenyl-3-(2-pyridin-3-yloxypropyl)imidazol-4-yl]pyrimidin-2-amine (CID 50960962) is 5-[5-phenyl-3-(2-pyridin-3-yloxypropyl)imidazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-phenyl-3-(2-pyridin-3-yloxypropyl)imidazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-phenyl-3-(2-pyridin-3-yloxypropyl)imidazol-4-yl]pyrimidin-2-amine is CC(Cn1cnc(-c2ccccc2)c1-c1cnc(N)nc1)Oc1cccnc1.
What is the InChIKey of 5-[5-phenyl-3-(2-pyridin-3-yloxypropyl)imidazol-4-yl]pyrimidin-2-amine?
The InChIKey is IWYIVCRPIZGAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-15(28-18-8-5-9-23-12-18)13-27-14-26-19(16-6-3-2-4-7-16)20(27)17-10-24-21(22)25-11-17/h2-12,14-15H,13H2,1H3,(H2,22,24,25).
What are the key properties of 5-[5-phenyl-3-(2-pyridin-3-yloxypropyl)imidazol-4-yl]pyrimidin-2-amine?
5-[5-phenyl-3-(2-pyridin-3-yloxypropyl)imidazol-4-yl]pyrimidin-2-amine has a molecular weight of 372.43 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-phenyl-3-(2-pyridin-3-yloxypropyl)imidazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 50960962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).