2-(3-methylphenyl)-1-pyrimidin-5-ylethanol

C13H14N2O — CID 62491693

IUPAC2-(3-methylphenyl)-1-pyrimidin-5-ylethanol
SMILESCc1cccc(CC(O)c2cncnc2)c1
InChIInChI=1S/C13H14N2O/c1-10-3-2-4-11(5-10)6-13(16)12-7-14-9-15-8-12/h2-5,7-9,13,16H,6H2,1H3
InChIKeyKJSLQIVFLFQEPF-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.06
Rot. Bonds3

About 2-(3-methylphenyl)-1-pyrimidin-5-ylethanol

2-(3-methylphenyl)-1-pyrimidin-5-ylethanol (PubChem CID 62491693) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-pyrimidin-5-ylethanol.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-pyrimidin-5-ylethanol
PubChem CID62491693
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-(3-methylphenyl)-1-pyrimidin-5-ylethanol
SMILESCc1cccc(CC(O)c2cncnc2)c1
InChIInChI=1S/C13H14N2O/c1-10-3-2-4-11(5-10)6-13(16)12-7-14-9-15-8-12/h2-5,7-9,13,16H,6H2,1H3
InChIKeyKJSLQIVFLFQEPF-UHFFFAOYSA-N
XLogP2.06
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenyl)-1-pyrimidin-5-ylethanol
CID 62901869
3-methyl-4-(3-methylphenyl)butan-2-ol
CID 22157927
2-(3-methylphenyl)-1-(2-methyl-4-pyridinyl)ethanol
CID 106756085
1-(4-methoxyphenyl)-2-(3-methylphenyl)ethanol
CID 60798818
2-(3-methylphenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 81318745
1-(3-bromo-4-methylphenyl)-2-(3-methylphenyl)ethanol
CID 81488822
[2-(3-methylphenyl)-1-pyridin-3-ylethyl]hydrazine
CID 105196124
1-(3-ethylimidazol-4-yl)-2-(3-methylphenyl)ethanol
CID 66132887
2-(2,6-dichlorophenyl)-1-pyrimidin-5-ylethanol
CID 62489843
2-(3-methylphenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 66129442
1-(4-cyclobutylphenyl)-2-(3-methylphenyl)ethanol
CID 116505746
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methylphenyl)ethanol
CID 63021652

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-pyrimidin-5-ylethanol?
The IUPAC name of 2-(3-methylphenyl)-1-pyrimidin-5-ylethanol (CID 62491693) is 2-(3-methylphenyl)-1-pyrimidin-5-ylethanol.
What is the SMILES notation for 2-(3-methylphenyl)-1-pyrimidin-5-ylethanol?
The canonical SMILES for 2-(3-methylphenyl)-1-pyrimidin-5-ylethanol is Cc1cccc(CC(O)c2cncnc2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-pyrimidin-5-ylethanol?
The InChIKey is KJSLQIVFLFQEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10-3-2-4-11(5-10)6-13(16)12-7-14-9-15-8-12/h2-5,7-9,13,16H,6H2,1H3.
What are the key properties of 2-(3-methylphenyl)-1-pyrimidin-5-ylethanol?
2-(3-methylphenyl)-1-pyrimidin-5-ylethanol has a molecular weight of 214.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-pyrimidin-5-ylethanol is sourced from PubChem (CID 62491693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).