2-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]ethanol

C14H16N2O — CID 116899537

IUPAC2-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]ethanol
SMILESCc1ccc(-c2ccnc(CCO)n2)cc1C
InChIInChI=1S/C14H16N2O/c1-10-3-4-12(9-11(10)2)13-5-7-15-14(16-13)6-8-17/h3-5,7,9,17H,6,8H2,1-2H3
InChIKeyKSEVJANGWPLKQY-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.30
Rot. Bonds3

About 2-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]ethanol

2-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]ethanol (PubChem CID 116899537) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]ethanol
PubChem CID116899537
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]ethanol
SMILESCc1ccc(-c2ccnc(CCO)n2)cc1C
InChIInChI=1S/C14H16N2O/c1-10-3-4-12(9-11(10)2)13-5-7-15-14(16-13)6-8-17/h3-5,7,9,17H,6,8H2,1-2H3
InChIKeyKSEVJANGWPLKQY-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]ethanol?
The IUPAC name of 2-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]ethanol (CID 116899537) is 2-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]ethanol?
The canonical SMILES for 2-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]ethanol is Cc1ccc(-c2ccnc(CCO)n2)cc1C.
What is the InChIKey of 2-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]ethanol?
The InChIKey is KSEVJANGWPLKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-3-4-12(9-11(10)2)13-5-7-15-14(16-13)6-8-17/h3-5,7,9,17H,6,8H2,1-2H3.
What are the key properties of 2-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]ethanol?
2-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]ethanol has a molecular weight of 228.29 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]ethanol is sourced from PubChem (CID 116899537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).