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

C21H20Cl2N4O — CID 156865969

IUPAC[1-[6-(2,4-dichlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2cc(-c3ccc(Cl)cc3Cl)nc(-c3cccnc3)n2)CC1
InChIInChI=1S/C21H20Cl2N4O/c22-16-3-4-17(18(23)10-16)19-11-20(27-8-5-14(13-28)6-9-27)26-21(25-19)15-2-1-7-24-12-15/h1-4,7,10-12,14,28H,5-6,8-9,13H2
InChIKeyHVHVGIKUMOEILS-UHFFFAOYSA-N
MW415.32 g/mol
LogP4.72
Rot. Bonds4

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

[1-[6-(2,4-dichlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol (PubChem CID 156865969) has the molecular formula C21H20Cl2N4O and a molecular weight of 415.32 g/mol. Its IUPAC name is [1-[6-(2,4-dichlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[6-(2,4-dichlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol
PubChem CID156865969
Molecular FormulaC21H20Cl2N4O
Molecular Weight415.32 g/mol
Exact Mass414.10
IUPAC Name[1-[6-(2,4-dichlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2cc(-c3ccc(Cl)cc3Cl)nc(-c3cccnc3)n2)CC1
InChIInChI=1S/C21H20Cl2N4O/c22-16-3-4-17(18(23)10-16)19-11-20(27-8-5-14(13-28)6-9-27)26-21(25-19)15-2-1-7-24-12-15/h1-4,7,10-12,14,28H,5-6,8-9,13H2
InChIKeyHVHVGIKUMOEILS-UHFFFAOYSA-N
XLogP4.72
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(2,4-dichlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[6-(2,4-dichlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol (CID 156865969) is [1-[6-(2,4-dichlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[6-(2,4-dichlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[6-(2,4-dichlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol is OCC1CCN(c2cc(-c3ccc(Cl)cc3Cl)nc(-c3cccnc3)n2)CC1.
What is the InChIKey of [1-[6-(2,4-dichlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol?
The InChIKey is HVHVGIKUMOEILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O/c22-16-3-4-17(18(23)10-16)19-11-20(27-8-5-14(13-28)6-9-27)26-21(25-19)15-2-1-7-24-12-15/h1-4,7,10-12,14,28H,5-6,8-9,13H2.
What are the key properties of [1-[6-(2,4-dichlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol?
[1-[6-(2,4-dichlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol has a molecular weight of 415.32 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(2,4-dichlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 156865969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).