1-phenyl-2-(6-propoxypyrimidin-4-yl)ethanol

C15H18N2O2 — CID 66333616

IUPAC1-phenyl-2-(6-propoxypyrimidin-4-yl)ethanol
SMILESCCCOc1cc(CC(O)c2ccccc2)ncn1
InChIInChI=1S/C15H18N2O2/c1-2-8-19-15-10-13(16-11-17-15)9-14(18)12-6-4-3-5-7-12/h3-7,10-11,14,18H,2,8-9H2,1H3
InChIKeyZBIRUIHOTSQHTE-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.54
Rot. Bonds6

About 1-phenyl-2-(6-propoxypyrimidin-4-yl)ethanol

1-phenyl-2-(6-propoxypyrimidin-4-yl)ethanol (PubChem CID 66333616) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-phenyl-2-(6-propoxypyrimidin-4-yl)ethanol.

Molecular Properties

Compound Name1-phenyl-2-(6-propoxypyrimidin-4-yl)ethanol
PubChem CID66333616
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-phenyl-2-(6-propoxypyrimidin-4-yl)ethanol
SMILESCCCOc1cc(CC(O)c2ccccc2)ncn1
InChIInChI=1S/C15H18N2O2/c1-2-8-19-15-10-13(16-11-17-15)9-14(18)12-6-4-3-5-7-12/h3-7,10-11,14,18H,2,8-9H2,1H3
InChIKeyZBIRUIHOTSQHTE-UHFFFAOYSA-N
XLogP2.54
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-(6-propoxypyrimidin-4-yl)butan-2-amine
CID 66334016
4-(2-bromo-3,3-dimethylbutyl)-6-propoxypyrimidine
CID 66331791
2-(6-ethoxypyrimidin-4-yl)-N-ethyl-1-phenylethanamine
CID 66318580
N-(2-chloro-2-phenylethyl)-6-propoxypyrimidin-4-amine
CID 66331181
1-phenyl-N-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334028
1-methoxy-3-(6-propoxypyrimidin-4-yl)-N-propylpropan-2-amine
CID 66334220
N-[1-cyclopropyl-2-(6-propoxypyrimidin-4-yl)ethyl]propan-1-amine
CID 66333010
1-(4-chloro-3-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanol
CID 107995606
propyl (3S)-3-hydroxy-3-phenylpropanoate
CID 102185519
6-butoxy-N-(1-phenylethyl)pyrimidin-4-amine
CID 82453611
2-(5-bromo-2-pyridinyl)-1-(3-propoxyphenyl)ethanol
CID 104801712
2-(6-ethylpyrimidin-4-yl)-1-phenylethanamine
CID 63196981

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(6-propoxypyrimidin-4-yl)ethanol?
The IUPAC name of 1-phenyl-2-(6-propoxypyrimidin-4-yl)ethanol (CID 66333616) is 1-phenyl-2-(6-propoxypyrimidin-4-yl)ethanol.
What is the SMILES notation for 1-phenyl-2-(6-propoxypyrimidin-4-yl)ethanol?
The canonical SMILES for 1-phenyl-2-(6-propoxypyrimidin-4-yl)ethanol is CCCOc1cc(CC(O)c2ccccc2)ncn1.
What is the InChIKey of 1-phenyl-2-(6-propoxypyrimidin-4-yl)ethanol?
The InChIKey is ZBIRUIHOTSQHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-8-19-15-10-13(16-11-17-15)9-14(18)12-6-4-3-5-7-12/h3-7,10-11,14,18H,2,8-9H2,1H3.
What are the key properties of 1-phenyl-2-(6-propoxypyrimidin-4-yl)ethanol?
1-phenyl-2-(6-propoxypyrimidin-4-yl)ethanol has a molecular weight of 258.32 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(6-propoxypyrimidin-4-yl)ethanol is sourced from PubChem (CID 66333616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).