(3,4-diethoxyphenyl)-pyrimidin-2-ylmethanol

C15H18N2O3 — CID 62790303

IUPAC(3,4-diethoxyphenyl)-pyrimidin-2-ylmethanol
SMILESCCOc1ccc(C(O)c2ncccn2)cc1OCC
InChIInChI=1S/C15H18N2O3/c1-3-19-12-7-6-11(10-13(12)20-4-2)14(18)15-16-8-5-9-17-15/h5-10,14,18H,3-4H2,1-2H3
InChIKeyQESUDXVAUBHQRL-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.36
Rot. Bonds6

About (3,4-diethoxyphenyl)-pyrimidin-2-ylmethanol

(3,4-diethoxyphenyl)-pyrimidin-2-ylmethanol (PubChem CID 62790303) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)-pyrimidin-2-ylmethanol.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)-pyrimidin-2-ylmethanol
PubChem CID62790303
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(3,4-diethoxyphenyl)-pyrimidin-2-ylmethanol
SMILESCCOc1ccc(C(O)c2ncccn2)cc1OCC
InChIInChI=1S/C15H18N2O3/c1-3-19-12-7-6-11(10-13(12)20-4-2)14(18)15-16-8-5-9-17-15/h5-10,14,18H,3-4H2,1-2H3
InChIKeyQESUDXVAUBHQRL-UHFFFAOYSA-N
XLogP2.36
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanol
CID 105094409
(5-bromo-2-pyridinyl)-(3,4-diethoxyphenyl)methanol
CID 115606169
(3,4-diethoxyphenyl)-(thiadiazol-5-yl)methanol
CID 105094432
(3,4-diethoxyphenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088204
1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol
CID 116711202
(3,4-diethoxyphenyl)-(3-ethylimidazol-4-yl)methanol
CID 66134131
3-chloro-1-(3,4-diethoxyphenyl)propane-1,2-diol
CID 171863308
(3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanol
CID 63796447
(4,5-dibromothiophen-2-yl)-(3,4-diethoxyphenyl)methanol
CID 80533947
(S)-(3,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methanol
CID 129391240

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)-pyrimidin-2-ylmethanol?
The IUPAC name of (3,4-diethoxyphenyl)-pyrimidin-2-ylmethanol (CID 62790303) is (3,4-diethoxyphenyl)-pyrimidin-2-ylmethanol.
What is the SMILES notation for (3,4-diethoxyphenyl)-pyrimidin-2-ylmethanol?
The canonical SMILES for (3,4-diethoxyphenyl)-pyrimidin-2-ylmethanol is CCOc1ccc(C(O)c2ncccn2)cc1OCC.
What is the InChIKey of (3,4-diethoxyphenyl)-pyrimidin-2-ylmethanol?
The InChIKey is QESUDXVAUBHQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-19-12-7-6-11(10-13(12)20-4-2)14(18)15-16-8-5-9-17-15/h5-10,14,18H,3-4H2,1-2H3.
What are the key properties of (3,4-diethoxyphenyl)-pyrimidin-2-ylmethanol?
(3,4-diethoxyphenyl)-pyrimidin-2-ylmethanol has a molecular weight of 274.32 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)-pyrimidin-2-ylmethanol is sourced from PubChem (CID 62790303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).