N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-2-ylpyrimidin-2-amine

C20H18N6O — CID 14722195

IUPACN-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-2-ylpyrimidin-2-amine
SMILESc1ccc(-c2ccnc(Nc3cccc(OCCn4ccnc4)c3)n2)nc1
InChIInChI=1S/C20H18N6O/c1-2-8-22-18(6-1)19-7-9-23-20(25-19)24-16-4-3-5-17(14-16)27-13-12-26-11-10-21-15-26/h1-11,14-15H,12-13H2,(H,23,24,25)
InChIKeyUFKWZUOTSRATQV-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.56
Rot. Bonds7

About N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-2-ylpyrimidin-2-amine

N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-2-ylpyrimidin-2-amine (PubChem CID 14722195) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-2-ylpyrimidin-2-amine
PubChem CID14722195
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC NameN-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-2-ylpyrimidin-2-amine
SMILESc1ccc(-c2ccnc(Nc3cccc(OCCn4ccnc4)c3)n2)nc1
InChIInChI=1S/C20H18N6O/c1-2-8-22-18(6-1)19-7-9-23-20(25-19)24-16-4-3-5-17(14-16)27-13-12-26-11-10-21-15-26/h1-11,14-15H,12-13H2,(H,23,24,25)
InChIKeyUFKWZUOTSRATQV-UHFFFAOYSA-N
XLogP3.56
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-2-ylpyrimidin-2-amine (CID 14722195) is N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-2-ylpyrimidin-2-amine is c1ccc(-c2ccnc(Nc3cccc(OCCn4ccnc4)c3)n2)nc1.
What is the InChIKey of N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is UFKWZUOTSRATQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-2-8-22-18(6-1)19-7-9-23-20(25-19)24-16-4-3-5-17(14-16)27-13-12-26-11-10-21-15-26/h1-11,14-15H,12-13H2,(H,23,24,25).
What are the key properties of N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-2-ylpyrimidin-2-amine?
N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 358.41 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 14722195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).