[1-[6-(2-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol

C21H21ClN4O — CID 166514811

IUPAC[1-[6-(2-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2cc(-c3ccccc3Cl)nc(-c3cccnc3)n2)CC1
InChIInChI=1S/C21H21ClN4O/c22-18-6-2-1-5-17(18)19-12-20(26-10-7-15(14-27)8-11-26)25-21(24-19)16-4-3-9-23-13-16/h1-6,9,12-13,15,27H,7-8,10-11,14H2
InChIKeyTVFINVPJNMRNOE-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.07
Rot. Bonds4

About [1-[6-(2-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol

[1-[6-(2-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol (PubChem CID 166514811) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is [1-[6-(2-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[6-(2-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol
PubChem CID166514811
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name[1-[6-(2-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2cc(-c3ccccc3Cl)nc(-c3cccnc3)n2)CC1
InChIInChI=1S/C21H21ClN4O/c22-18-6-2-1-5-17(18)19-12-20(26-10-7-15(14-27)8-11-26)25-21(24-19)16-4-3-9-23-13-16/h1-6,9,12-13,15,27H,7-8,10-11,14H2
InChIKeyTVFINVPJNMRNOE-UHFFFAOYSA-N
XLogP4.07
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[6-(2,4-dichlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol
CID 156865969
[(3S,4S)-1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]-3-fluoropiperidin-4-yl]methanol
CID 156866281
4-(4-chlorophenyl)-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine;hydrochloride
CID 156865983
[1-(2-pyrazin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]methanamine
CID 56768273
1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]azepan-3-ol
CID 156865963
4-chloro-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
CID 175342274
2-[1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]propan-1-ol
CID 167789936
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]piperidin-4-yl] butanoate
CID 175342086
(3R,4R)-4-(hydroxymethyl)-1-[2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-3-ol
CID 156866330
1-[2-(3-fluorophenyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-amine
CID 56767086
[(3S,4S)-3-fluoro-1-[2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]methanol
CID 156866164

Frequently Asked Questions

What is the IUPAC name of [1-[6-(2-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[6-(2-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol (CID 166514811) is [1-[6-(2-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[6-(2-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[6-(2-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol is OCC1CCN(c2cc(-c3ccccc3Cl)nc(-c3cccnc3)n2)CC1.
What is the InChIKey of [1-[6-(2-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol?
The InChIKey is TVFINVPJNMRNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c22-18-6-2-1-5-17(18)19-12-20(26-10-7-15(14-27)8-11-26)25-21(24-19)16-4-3-9-23-13-16/h1-6,9,12-13,15,27H,7-8,10-11,14H2.
What are the key properties of [1-[6-(2-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol?
[1-[6-(2-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol has a molecular weight of 380.88 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(2-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 166514811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).