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

C20H18N6O — CID 11371778

IUPACN-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESc1cc(Nc2nccc(-c3cccnc3)n2)cc(OCCn2ccnc2)c1
InChIInChI=1S/C20H18N6O/c1-4-17(13-18(5-1)27-12-11-26-10-9-22-15-26)24-20-23-8-6-19(25-20)16-3-2-7-21-14-16/h1-10,13-15H,11-12H2,(H,23,24,25)
InChIKeyLIMBOIOWYJOOIC-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.56
Rot. Bonds7

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

N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-ylpyrimidin-2-amine (PubChem CID 11371778) 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-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-ylpyrimidin-2-amine
PubChem CID11371778
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC NameN-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESc1cc(Nc2nccc(-c3cccnc3)n2)cc(OCCn2ccnc2)c1
InChIInChI=1S/C20H18N6O/c1-4-17(13-18(5-1)27-12-11-26-10-9-22-15-26)24-20-23-8-6-19(25-20)16-3-2-7-21-14-16/h1-10,13-15H,11-12H2,(H,23,24,25)
InChIKeyLIMBOIOWYJOOIC-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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Related Compounds

AZ4800
CID 50996844
1-(2-fluoro-4-((5-methyl-5H-pyrrolo(3,2-d)pyrimidin-4-yl)oxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 15949613
8-Fluoro-6-Methoxy-3,4-Dimethyl-1-(3-Methylpyridin-4-Yl)imidazo[1,5-A]quinoxaline
CID 42630191
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
4-N-(3-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328061
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
2-Pyrimidinamine, N-(2-methoxyphenyl)-4-(2-phenyl-1H-imidazol-1-yl)-
CID 5329418
2,4-Disubstituted Pyrimidine 2f
CID 5329419
2,4-Disubstituted Pyrimidine 2g
CID 5329420
2,4-Disubstituted Pyrimidine 2h
CID 5329421
Pyrazine-Pyridine Biheteroaryl 15
CID 5330360
Pyrazolopyridazine 1
CID 6539361

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-ylpyrimidin-2-amine (CID 11371778) is N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-ylpyrimidin-2-amine is c1cc(Nc2nccc(-c3cccnc3)n2)cc(OCCn2ccnc2)c1.
What is the InChIKey of N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is LIMBOIOWYJOOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-4-17(13-18(5-1)27-12-11-26-10-9-22-15-26)24-20-23-8-6-19(25-20)16-3-2-7-21-14-16/h1-10,13-15H,11-12H2,(H,23,24,25).
What are the key properties of N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-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-3-ylpyrimidin-2-amine is sourced from PubChem (CID 11371778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).