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

C21H21ClN2O — CID 74221427

IUPAC2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]ethanol
SMILESCCc1cc(Cc2ccc(CCO)cc2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C21H21ClN2O/c1-2-19-14-20(12-16-8-6-15(7-9-16)10-11-25)24-21(23-19)17-4-3-5-18(22)13-17/h3-9,13-14,25H,2,10-12H2,1H3
InChIKeyISFMNSBYUVHDCJ-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.49
Rot. Bonds6

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

2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]ethanol (PubChem CID 74221427) has the molecular formula C21H21ClN2O and a molecular weight of 352.87 g/mol. Its IUPAC name is 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]ethanol
PubChem CID74221427
Molecular FormulaC21H21ClN2O
Molecular Weight352.87 g/mol
Exact Mass352.13
IUPAC Name2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]ethanol
SMILESCCc1cc(Cc2ccc(CCO)cc2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C21H21ClN2O/c1-2-19-14-20(12-16-8-6-15(7-9-16)10-11-25)24-21(23-19)17-4-3-5-18(22)13-17/h3-9,13-14,25H,2,10-12H2,1H3
InChIKeyISFMNSBYUVHDCJ-UHFFFAOYSA-N
XLogP4.49
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-Chloro-2,6-diphenylpyrimidine
CID 582041
2-(4-{[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
CID 74221301
2-(4-{[2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl]methyl}phenyl)acetamide
CID 74221424
3-(4-((4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl)amino)phenyl)propan-1-ol
CID 74221498
2-(4-((2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl)methyl)phenyl)acetic acid
CID 74221425
2-(4-((2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl)amino)phenyl)ethanol
CID 90110094
3-(2,6-Diamino-5-(3-chlorophenyl)pyrimidin-4-yl)propan-1-ol
CID 11369471
2-(4-((2-(3-Chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)ethanol
CID 90112835
2-(4-((2-Cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl)methyl)phenyl)ethanol
CID 74220714
US11401286, Example 205
CID 90109857
3-(4-((2-(3-Chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino)phenyl)-1,1,1-trifluoropropan-2-ol
CID 90109898
Methyl 2-(4-((2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl)methyl)phenyl)acetate
CID 90110925

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]ethanol?
The IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]ethanol (CID 74221427) is 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]ethanol?
The canonical SMILES for 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]ethanol is CCc1cc(Cc2ccc(CCO)cc2)nc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]ethanol?
The InChIKey is ISFMNSBYUVHDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O/c1-2-19-14-20(12-16-8-6-15(7-9-16)10-11-25)24-21(23-19)17-4-3-5-18(22)13-17/h3-9,13-14,25H,2,10-12H2,1H3.
What are the key properties of 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]ethanol?
2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]ethanol has a molecular weight of 352.87 g/mol, XLogP of 4.49, 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-ethylpyrimidin-4-yl]methyl]phenyl]ethanol is sourced from PubChem (CID 74221427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).