2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanol

C15H18N2O2 — CID 116899575

IUPAC2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanol
SMILESCCc1cc(-c2ccnc(CCO)n2)ccc1OC
InChIInChI=1S/C15H18N2O2/c1-3-11-10-12(4-5-14(11)19-2)13-6-8-16-15(17-13)7-9-18/h4-6,8,10,18H,3,7,9H2,1-2H3
InChIKeyOWNJYGVLMHJYFL-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.25
Rot. Bonds5

About 2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanol

2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanol (PubChem CID 116899575) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanol
PubChem CID116899575
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanol
SMILESCCc1cc(-c2ccnc(CCO)n2)ccc1OC
InChIInChI=1S/C15H18N2O2/c1-3-11-10-12(4-5-14(11)19-2)13-6-8-16-15(17-13)7-9-18/h4-6,8,10,18H,3,7,9H2,1-2H3
InChIKeyOWNJYGVLMHJYFL-UHFFFAOYSA-N
XLogP2.25
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanamine
CID 96664973
2-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]ethanol
CID 116899537
2-[4-(3-bromo-4-methoxyphenyl)pyrimidin-2-yl]acetic acid
CID 116899794
2-[4-(4-bromophenyl)pyrimidin-2-yl]ethanol
CID 116899542
4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole
CID 116967837
[4-(3-bromo-4-methoxyphenyl)pyrimidin-2-yl]methanethiol
CID 116900340
[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine
CID 82475463
[5-(3-ethyl-4-methoxyphenyl)-1H-imidazol-2-yl]methanol
CID 116878283
2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine
CID 96664975
6-(3-ethyl-4-methoxyphenyl)imidazo[1,2-b]pyridazine
CID 116854258
2-[5-(3-ethylphenyl)-2-methoxyphenyl]ethanol
CID 142190980
[5-bromo-2-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-4-yl]methanol
CID 84608504

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanol?
The IUPAC name of 2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanol (CID 116899575) is 2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanol?
The canonical SMILES for 2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanol is CCc1cc(-c2ccnc(CCO)n2)ccc1OC.
What is the InChIKey of 2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanol?
The InChIKey is OWNJYGVLMHJYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-11-10-12(4-5-14(11)19-2)13-6-8-16-15(17-13)7-9-18/h4-6,8,10,18H,3,7,9H2,1-2H3.
What are the key properties of 2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanol?
2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanol has a molecular weight of 258.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanol is sourced from PubChem (CID 116899575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).