1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclohexyl-2-pyrimidin-5-ylethanol

C23H24ClN3O — CID 118443709

IUPAC1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclohexyl-2-pyrimidin-5-ylethanol
SMILESOC(Cc1cncnc1)(c1ccc(-c2ccc(Cl)cc2)cn1)C1CCCCC1
InChIInChI=1S/C23H24ClN3O/c24-21-9-6-18(7-10-21)19-8-11-22(27-15-19)23(28,20-4-2-1-3-5-20)12-17-13-25-16-26-14-17/h6-11,13-16,20,28H,1-5,12H2
InChIKeyZXCVZJKAIYIETI-UHFFFAOYSA-N
MW393.92 g/mol
LogP5.20
Rot. Bonds5

About 1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclohexyl-2-pyrimidin-5-ylethanol

1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclohexyl-2-pyrimidin-5-ylethanol (PubChem CID 118443709) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclohexyl-2-pyrimidin-5-ylethanol.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclohexyl-2-pyrimidin-5-ylethanol
PubChem CID118443709
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC Name1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclohexyl-2-pyrimidin-5-ylethanol
SMILESOC(Cc1cncnc1)(c1ccc(-c2ccc(Cl)cc2)cn1)C1CCCCC1
InChIInChI=1S/C23H24ClN3O/c24-21-9-6-18(7-10-21)19-8-11-22(27-15-19)23(28,20-4-2-1-3-5-20)12-17-13-25-16-26-14-17/h6-11,13-16,20,28H,1-5,12H2
InChIKeyZXCVZJKAIYIETI-UHFFFAOYSA-N
XLogP5.20
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.92
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclohexyl-2-pyrimidin-5-ylethanol?
The IUPAC name of 1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclohexyl-2-pyrimidin-5-ylethanol (CID 118443709) is 1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclohexyl-2-pyrimidin-5-ylethanol.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclohexyl-2-pyrimidin-5-ylethanol?
The canonical SMILES for 1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclohexyl-2-pyrimidin-5-ylethanol is OC(Cc1cncnc1)(c1ccc(-c2ccc(Cl)cc2)cn1)C1CCCCC1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclohexyl-2-pyrimidin-5-ylethanol?
The InChIKey is ZXCVZJKAIYIETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O/c24-21-9-6-18(7-10-21)19-8-11-22(27-15-19)23(28,20-4-2-1-3-5-20)12-17-13-25-16-26-14-17/h6-11,13-16,20,28H,1-5,12H2.
What are the key properties of 1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclohexyl-2-pyrimidin-5-ylethanol?
1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclohexyl-2-pyrimidin-5-ylethanol has a molecular weight of 393.92 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclohexyl-2-pyrimidin-5-ylethanol is sourced from PubChem (CID 118443709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).