2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]methyl]phenyl]ethanol

C22H21ClN2O — CID 90338490

IUPAC2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]methyl]phenyl]ethanol
SMILESOCCc1ccc(Cc2cc(C3CC3)nc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C22H21ClN2O/c23-19-3-1-2-18(13-19)22-24-20(14-21(25-22)17-8-9-17)12-16-6-4-15(5-7-16)10-11-26/h1-7,13-14,17,26H,8-12H2
InChIKeyZKYJKVDEBOBFHL-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.80
Rot. Bonds6

About 2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]methyl]phenyl]ethanol

2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]methyl]phenyl]ethanol (PubChem CID 90338490) has the molecular formula C22H21ClN2O and a molecular weight of 364.88 g/mol. Its IUPAC name is 2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]methyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]methyl]phenyl]ethanol
PubChem CID90338490
Molecular FormulaC22H21ClN2O
Molecular Weight364.88 g/mol
Exact Mass364.13
IUPAC Name2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]methyl]phenyl]ethanol
SMILESOCCc1ccc(Cc2cc(C3CC3)nc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C22H21ClN2O/c23-19-3-1-2-18(13-19)22-24-20(14-21(25-22)17-8-9-17)12-16-6-4-15(5-7-16)10-11-26/h1-7,13-14,17,26H,8-12H2
InChIKeyZKYJKVDEBOBFHL-UHFFFAOYSA-N
XLogP4.80
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]methyl]phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]methyl]phenyl]ethanol?
The IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]methyl]phenyl]ethanol (CID 90338490) is 2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]methyl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]methyl]phenyl]ethanol?
The canonical SMILES for 2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]methyl]phenyl]ethanol is OCCc1ccc(Cc2cc(C3CC3)nc(-c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]methyl]phenyl]ethanol?
The InChIKey is ZKYJKVDEBOBFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O/c23-19-3-1-2-18(13-19)22-24-20(14-21(25-22)17-8-9-17)12-16-6-4-15(5-7-16)10-11-26/h1-7,13-14,17,26H,8-12H2.
What are the key properties of 2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]methyl]phenyl]ethanol?
2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]methyl]phenyl]ethanol has a molecular weight of 364.88 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]methyl]phenyl]ethanol is sourced from PubChem (CID 90338490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).