2-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxyethanol

C13H14N2O3 — CID 117230603

IUPAC2-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxyethanol
SMILESCOc1cccc(-c2ncc(OCCO)cn2)c1
InChIInChI=1S/C13H14N2O3/c1-17-11-4-2-3-10(7-11)13-14-8-12(9-15-13)18-6-5-16/h2-4,7-9,16H,5-6H2,1H3
InChIKeyGYFYYHVHNHBSEV-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.52
Rot. Bonds5

About 2-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxyethanol

2-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxyethanol (PubChem CID 117230603) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxyethanol.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxyethanol
PubChem CID117230603
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxyethanol
SMILESCOc1cccc(-c2ncc(OCCO)cn2)c1
InChIInChI=1S/C13H14N2O3/c1-17-11-4-2-3-10(7-11)13-14-8-12(9-15-13)18-6-5-16/h2-4,7-9,16H,5-6H2,1H3
InChIKeyGYFYYHVHNHBSEV-UHFFFAOYSA-N
XLogP1.52
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)-5-methylpyrimidine
CID 121432653
[3-(5-methoxypyrimidin-2-yl)phenyl]methanol
CID 155039512
1-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxy-N-methylpropan-2-amine
CID 117231190
2-(3-methoxyphenyl)-N-methylpyrimidin-5-amine
CID 83886658
5-(2-methoxyphenoxy)-2-(3-methoxyphenyl)pyrimidine
CID 150700013
2-[4-(3-methoxyphenyl)phenyl]ethanol
CID 2759703
N'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212327
5-methoxy-2-(3-methylphenyl)pyrimidine
CID 91581567
2-[4-methoxy-2-(3-methoxyphenyl)pyrimidin-5-yl]acetic acid
CID 117225486
N-[[2-(3-methoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62755519
2-[2-(3-methoxyphenyl)-3-pyridinyl]ethanol
CID 117001607
2-[3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol
CID 94698491

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxyethanol?
The IUPAC name of 2-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxyethanol (CID 117230603) is 2-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxyethanol.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxyethanol?
The canonical SMILES for 2-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxyethanol is COc1cccc(-c2ncc(OCCO)cn2)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxyethanol?
The InChIKey is GYFYYHVHNHBSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-17-11-4-2-3-10(7-11)13-14-8-12(9-15-13)18-6-5-16/h2-4,7-9,16H,5-6H2,1H3.
What are the key properties of 2-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxyethanol?
2-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxyethanol has a molecular weight of 246.27 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxyethanol is sourced from PubChem (CID 117230603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).