2-(3,4-dimethylphenyl)-1-pyrimidin-5-ylethanol

C14H16N2O — CID 62901869

IUPAC2-(3,4-dimethylphenyl)-1-pyrimidin-5-ylethanol
SMILESCc1ccc(CC(O)c2cncnc2)cc1C
InChIInChI=1S/C14H16N2O/c1-10-3-4-12(5-11(10)2)6-14(17)13-7-15-9-16-8-13/h3-5,7-9,14,17H,6H2,1-2H3
InChIKeyPSQFLBVWRSGBQZ-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.37
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-1-pyrimidin-5-ylethanol

2-(3,4-dimethylphenyl)-1-pyrimidin-5-ylethanol (PubChem CID 62901869) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-pyrimidin-5-ylethanol.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-pyrimidin-5-ylethanol
PubChem CID62901869
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-(3,4-dimethylphenyl)-1-pyrimidin-5-ylethanol
SMILESCc1ccc(CC(O)c2cncnc2)cc1C
InChIInChI=1S/C14H16N2O/c1-10-3-4-12(5-11(10)2)6-14(17)13-7-15-9-16-8-13/h3-5,7-9,14,17H,6H2,1-2H3
InChIKeyPSQFLBVWRSGBQZ-UHFFFAOYSA-N
XLogP2.37
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-1-pyrimidin-5-ylethanol
CID 62491693
2-(3,4-dimethylphenyl)-1-(4-iodophenyl)ethanol
CID 63519463
2-(3,4-dimethylphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66164033
2-(5-ethyl-2-pyridinyl)-1-pyrimidin-5-ylethanol
CID 102924082
2-(3,4-dimethylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374488
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethylphenyl)ethanol
CID 62537163
1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115484564
(1S)-1-pyrimidin-5-ylpropan-1-ol
CID 15812275
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670
2-(3,4-dimethylphenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
CID 114220124
1-(5-chloro-3-pyridinyl)-2-[(3,4-dimethylphenyl)methylamino]ethanol
CID 168981686
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-pyrimidin-5-ylethanol?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-pyrimidin-5-ylethanol (CID 62901869) is 2-(3,4-dimethylphenyl)-1-pyrimidin-5-ylethanol.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-pyrimidin-5-ylethanol?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-pyrimidin-5-ylethanol is Cc1ccc(CC(O)c2cncnc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-pyrimidin-5-ylethanol?
The InChIKey is PSQFLBVWRSGBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-3-4-12(5-11(10)2)6-14(17)13-7-15-9-16-8-13/h3-5,7-9,14,17H,6H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-pyrimidin-5-ylethanol?
2-(3,4-dimethylphenyl)-1-pyrimidin-5-ylethanol has a molecular weight of 228.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-pyrimidin-5-ylethanol is sourced from PubChem (CID 62901869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).