4-[5-(4-phenylmethoxypentyl)pyrimidin-2-yl]phenol

C22H24N2O2 — CID 139657317

IUPAC4-[5-(4-phenylmethoxypentyl)pyrimidin-2-yl]phenol
SMILESCC(CCCc1cnc(-c2ccc(O)cc2)nc1)OCc1ccccc1
InChIInChI=1S/C22H24N2O2/c1-17(26-16-18-7-3-2-4-8-18)6-5-9-19-14-23-22(24-15-19)20-10-12-21(25)13-11-20/h2-4,7-8,10-15,17,25H,5-6,9,16H2,1H3
InChIKeyRMRPQGQVQVGSCZ-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.78
Rot. Bonds8

About 4-[5-(4-phenylmethoxypentyl)pyrimidin-2-yl]phenol

4-[5-(4-phenylmethoxypentyl)pyrimidin-2-yl]phenol (PubChem CID 139657317) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-[5-(4-phenylmethoxypentyl)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-phenylmethoxypentyl)pyrimidin-2-yl]phenol
PubChem CID139657317
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name4-[5-(4-phenylmethoxypentyl)pyrimidin-2-yl]phenol
SMILESCC(CCCc1cnc(-c2ccc(O)cc2)nc1)OCc1ccccc1
InChIInChI=1S/C22H24N2O2/c1-17(26-16-18-7-3-2-4-8-18)6-5-9-19-14-23-22(24-15-19)20-10-12-21(25)13-11-20/h2-4,7-8,10-15,17,25H,5-6,9,16H2,1H3
InChIKeyRMRPQGQVQVGSCZ-UHFFFAOYSA-N
XLogP4.78
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[5-(4-phenylmethoxypentyl)pyrimidin-2-yl]phenyl] acetate
CID 139657406
[4-[5-(7-phenylmethoxyoctyl)pyrimidin-2-yl]phenyl] acetate
CID 139657658
4-[5-(4-phenylbutyl)pyrimidin-2-yl]phenol
CID 135841595
4-[5-(5-trimethylsilyloxyhexyl)pyrimidin-2-yl]phenol
CID 139657253
4-[5-(8-phenylmethoxyoctyl)pyrimidin-2-yl]phenol
CID 139657587
1-decyl-4-[4-(4-phenylmethoxypentyl)phenyl]benzene
CID 139657430
4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenol
CID 137177178
2-(4-methoxyphenyl)-5-(4-phenylbutyl)pyrimidine
CID 23361560
5-[4-(5-hydroxypyrimidin-2-yl)phenyl]pentan-2-yl propanoate
CID 139651991
2-[4-(4-octoxypentoxy)phenyl]-5-octylpyrimidine
CID 14388356
5-decyl-2-[4-(4-propoxypentoxy)phenyl]pyrimidine
CID 14388357
[4-[2-(6-phenylmethoxyheptyl)pyrimidin-5-yl]phenyl] acetate
CID 139657535

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-phenylmethoxypentyl)pyrimidin-2-yl]phenol?
The IUPAC name of 4-[5-(4-phenylmethoxypentyl)pyrimidin-2-yl]phenol (CID 139657317) is 4-[5-(4-phenylmethoxypentyl)pyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[5-(4-phenylmethoxypentyl)pyrimidin-2-yl]phenol?
The canonical SMILES for 4-[5-(4-phenylmethoxypentyl)pyrimidin-2-yl]phenol is CC(CCCc1cnc(-c2ccc(O)cc2)nc1)OCc1ccccc1.
What is the InChIKey of 4-[5-(4-phenylmethoxypentyl)pyrimidin-2-yl]phenol?
The InChIKey is RMRPQGQVQVGSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-17(26-16-18-7-3-2-4-8-18)6-5-9-19-14-23-22(24-15-19)20-10-12-21(25)13-11-20/h2-4,7-8,10-15,17,25H,5-6,9,16H2,1H3.
What are the key properties of 4-[5-(4-phenylmethoxypentyl)pyrimidin-2-yl]phenol?
4-[5-(4-phenylmethoxypentyl)pyrimidin-2-yl]phenol has a molecular weight of 348.45 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-phenylmethoxypentyl)pyrimidin-2-yl]phenol is sourced from PubChem (CID 139657317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).