5-[4-(5-hydroxypyrimidin-2-yl)phenyl]pentan-2-yl propanoate

C18H22N2O3 — CID 139651991

IUPAC5-[4-(5-hydroxypyrimidin-2-yl)phenyl]pentan-2-yl propanoate
SMILESCCC(=O)OC(C)CCCc1ccc(-c2ncc(O)cn2)cc1
InChIInChI=1S/C18H22N2O3/c1-3-17(22)23-13(2)5-4-6-14-7-9-15(10-8-14)18-19-11-16(21)12-20-18/h7-13,21H,3-6H2,1-2H3
InChIKeyJSKORBLCJBYNOJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.51
Rot. Bonds7

About 5-[4-(5-hydroxypyrimidin-2-yl)phenyl]pentan-2-yl propanoate

5-[4-(5-hydroxypyrimidin-2-yl)phenyl]pentan-2-yl propanoate (PubChem CID 139651991) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-[4-(5-hydroxypyrimidin-2-yl)phenyl]pentan-2-yl propanoate.

Molecular Properties

Compound Name5-[4-(5-hydroxypyrimidin-2-yl)phenyl]pentan-2-yl propanoate
PubChem CID139651991
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name5-[4-(5-hydroxypyrimidin-2-yl)phenyl]pentan-2-yl propanoate
SMILESCCC(=O)OC(C)CCCc1ccc(-c2ncc(O)cn2)cc1
InChIInChI=1S/C18H22N2O3/c1-3-17(22)23-13(2)5-4-6-14-7-9-15(10-8-14)18-19-11-16(21)12-20-18/h7-13,21H,3-6H2,1-2H3
InChIKeyJSKORBLCJBYNOJ-UHFFFAOYSA-N
XLogP3.51
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(5-propanoyloxyhexyl)phenyl]pyrimidin-5-yl] dodec-3-enoate
CID 54206398
4-[4-(5-oct-1-enoxypyrimidin-2-yl)phenyl]butan-2-yl propanoate
CID 67824284
[2-[4-(3-propanoyloxybutyl)phenyl]pyrimidin-5-yl] oct-6-enoate
CID 54287109
[2-[4-(3-propanoyloxybutyl)phenyl]pyrimidin-5-yl] (Z)-non-5-enoate
CID 67634577
[2-[4-(3-propanoyloxybutyl)phenyl]pyrimidin-5-yl] (E)-oct-2-enoate
CID 19017141
2-(4-hexylphenyl)pyrimidin-5-ol
CID 604041
[2-[4-(4-nonylphenyl)phenyl]pyrimidin-5-yl] [(2S)-octan-2-yl] carbonate
CID 18647398
1-[4-(5-heptylpyrimidin-2-yl)phenyl]propan-2-yl butanoate
CID 54452009
[2-[4-(5-acetyloxyhexyl)phenyl]pyrimidin-5-yl] (Z)-oct-3-enoate
CID 67635715
1-[4-[5-(4-pentylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 3-methylhexanoate
CID 19866173
1-[4-[2-(4-undecylphenyl)pyrimidin-5-yl]phenoxy]propan-2-yl hexanoate
CID 19866150
1-[4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenoxy]propan-2-yl pentanoate
CID 19866159

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-hydroxypyrimidin-2-yl)phenyl]pentan-2-yl propanoate?
The IUPAC name of 5-[4-(5-hydroxypyrimidin-2-yl)phenyl]pentan-2-yl propanoate (CID 139651991) is 5-[4-(5-hydroxypyrimidin-2-yl)phenyl]pentan-2-yl propanoate.
What is the SMILES notation for 5-[4-(5-hydroxypyrimidin-2-yl)phenyl]pentan-2-yl propanoate?
The canonical SMILES for 5-[4-(5-hydroxypyrimidin-2-yl)phenyl]pentan-2-yl propanoate is CCC(=O)OC(C)CCCc1ccc(-c2ncc(O)cn2)cc1.
What is the InChIKey of 5-[4-(5-hydroxypyrimidin-2-yl)phenyl]pentan-2-yl propanoate?
The InChIKey is JSKORBLCJBYNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-17(22)23-13(2)5-4-6-14-7-9-15(10-8-14)18-19-11-16(21)12-20-18/h7-13,21H,3-6H2,1-2H3.
What are the key properties of 5-[4-(5-hydroxypyrimidin-2-yl)phenyl]pentan-2-yl propanoate?
5-[4-(5-hydroxypyrimidin-2-yl)phenyl]pentan-2-yl propanoate has a molecular weight of 314.39 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-hydroxypyrimidin-2-yl)phenyl]pentan-2-yl propanoate is sourced from PubChem (CID 139651991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).