1-[4-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperazin-1-yl]ethanol

C21H22ClN5O — CID 175823757

IUPAC1-[4-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCC(O)N1CCN(c2cc(-c3ccc(Cl)cc3)nc(-c3cccnc3)n2)CC1
InChIInChI=1S/C21H22ClN5O/c1-15(28)26-9-11-27(12-10-26)20-13-19(16-4-6-18(22)7-5-16)24-21(25-20)17-3-2-8-23-14-17/h2-8,13-15,28H,9-12H2,1H3
InChIKeyXRLRJEDMZQDUIR-UHFFFAOYSA-N
MW395.89 g/mol
LogP3.32
Rot. Bonds4

About 1-[4-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperazin-1-yl]ethanol

1-[4-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 175823757) has the molecular formula C21H22ClN5O and a molecular weight of 395.89 g/mol. Its IUPAC name is 1-[4-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-[4-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID175823757
Molecular FormulaC21H22ClN5O
Molecular Weight395.89 g/mol
Exact Mass395.15
IUPAC Name1-[4-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCC(O)N1CCN(c2cc(-c3ccc(Cl)cc3)nc(-c3cccnc3)n2)CC1
InChIInChI=1S/C21H22ClN5O/c1-15(28)26-9-11-27(12-10-26)20-13-19(16-4-6-18(22)7-5-16)24-21(25-20)17-3-2-8-23-14-17/h2-8,13-15,28H,9-12H2,1H3
InChIKeyXRLRJEDMZQDUIR-UHFFFAOYSA-N
XLogP3.32
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-chlorophenyl)-6-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine
CID 175342188
4-(4-chlorophenyl)-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine;hydrochloride
CID 156865983
4-(4-benzhydrylpiperazin-1-yl)-6-phenyl-2-pyridin-3-ylpyrimidine
CID 5233564
4-(4-chlorophenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridin-3-ylpyrimidine
CID 156865958
1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]azepan-3-ol
CID 156865963
1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]-N-methylpiperidin-3-amine
CID 175342252
[1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl] butanoate
CID 175342086
[(3S,4S)-1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]-3-fluoropiperidin-4-yl]methanol
CID 156866281
methyl (2S)-1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]pyrrolidine-2-carboxylate
CID 156866200
[1-[6-(2,4-dichlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol
CID 156865969
6-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 156865932
4-chloro-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
CID 175342274

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 1-[4-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperazin-1-yl]ethanol (CID 175823757) is 1-[4-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 1-[4-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 1-[4-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperazin-1-yl]ethanol is CC(O)N1CCN(c2cc(-c3ccc(Cl)cc3)nc(-c3cccnc3)n2)CC1.
What is the InChIKey of 1-[4-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is XRLRJEDMZQDUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O/c1-15(28)26-9-11-27(12-10-26)20-13-19(16-4-6-18(22)7-5-16)24-21(25-20)17-3-2-8-23-14-17/h2-8,13-15,28H,9-12H2,1H3.
What are the key properties of 1-[4-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperazin-1-yl]ethanol?
1-[4-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 395.89 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 175823757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).