6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(6-chloro-2-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine

C24H31ClN8 — CID 89450673

IUPAC6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(6-chloro-2-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1N1CCC(c2nc(-c3cccc(Cl)n3)cn2CCN2CCC2)CC1
InChIInChI=1S/C24H31ClN8/c1-2-18-22(26)27-16-28-24(18)32-11-7-17(8-12-32)23-30-20(19-5-3-6-21(25)29-19)15-33(23)14-13-31-9-4-10-31/h3,5-6,15-17H,2,4,7-14H2,1H3,(H2,26,27,28)
InChIKeyCBEVEZTUJLXHCH-UHFFFAOYSA-N
MW467.02 g/mol
LogP3.62
Rot. Bonds7

About 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(6-chloro-2-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine

6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(6-chloro-2-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine (PubChem CID 89450673) has the molecular formula C24H31ClN8 and a molecular weight of 467.02 g/mol. Its IUPAC name is 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(6-chloro-2-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(6-chloro-2-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine
PubChem CID89450673
Molecular FormulaC24H31ClN8
Molecular Weight467.02 g/mol
Exact Mass466.24
IUPAC Name6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(6-chloro-2-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1N1CCC(c2nc(-c3cccc(Cl)n3)cn2CCN2CCC2)CC1
InChIInChI=1S/C24H31ClN8/c1-2-18-22(26)27-16-28-24(18)32-11-7-17(8-12-32)23-30-20(19-5-3-6-21(25)29-19)15-33(23)14-13-31-9-4-10-31/h3,5-6,15-17H,2,4,7-14H2,1H3,(H2,26,27,28)
InChIKeyCBEVEZTUJLXHCH-UHFFFAOYSA-N
XLogP3.62
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.02
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-amino-6-[4-[4-(3-chloro-4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-5-ol
CID 144555011
5-bromo-6-[4-[4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89450740
5-ethyl-6-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89442676
5-bromo-6-[4-[1-(2-pyrrolidin-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89450290
6-[4-[1-[2-(dimethylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine
CID 118300551
5-chloro-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 130255758
4-amino-6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-thiophen-3-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 89443041
5-cyclobutyl-6-[4-[4-(3,4-difluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89450384
4-[4-[4-(3-chlorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5,6,7,8-tetrahydropteridine
CID 141413246
4-amino-6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(1,2-oxazol-4-yl)imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile
CID 89442580
6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]-5-cyclobutylpyrimidin-4-amine
CID 164628705
6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]-5-propan-2-yloxypyrimidin-4-amine
CID 71516690

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(6-chloro-2-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine?
The IUPAC name of 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(6-chloro-2-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine (CID 89450673) is 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(6-chloro-2-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(6-chloro-2-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine?
The canonical SMILES for 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(6-chloro-2-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine is CCc1c(N)ncnc1N1CCC(c2nc(-c3cccc(Cl)n3)cn2CCN2CCC2)CC1.
What is the InChIKey of 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(6-chloro-2-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine?
The InChIKey is CBEVEZTUJLXHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN8/c1-2-18-22(26)27-16-28-24(18)32-11-7-17(8-12-32)23-30-20(19-5-3-6-21(25)29-19)15-33(23)14-13-31-9-4-10-31/h3,5-6,15-17H,2,4,7-14H2,1H3,(H2,26,27,28).
What are the key properties of 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(6-chloro-2-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine?
6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(6-chloro-2-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine has a molecular weight of 467.02 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(6-chloro-2-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 89450673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).