2-[4-(4-decoxyphenyl)phenyl]pyrimidin-5-ol

C26H32N2O2 — CID 139654815

IUPAC2-[4-(4-decoxyphenyl)phenyl]pyrimidin-5-ol
SMILESCCCCCCCCCCOc1ccc(-c2ccc(-c3ncc(O)cn3)cc2)cc1
InChIInChI=1S/C26H32N2O2/c1-2-3-4-5-6-7-8-9-18-30-25-16-14-22(15-17-25)21-10-12-23(13-11-21)26-27-19-24(29)20-28-26/h10-17,19-20,29H,2-9,18H2,1H3
InChIKeyFAMJTHGDPRSKDM-UHFFFAOYSA-N
MW404.55 g/mol
LogP7.04
Rot. Bonds12

About 2-[4-(4-decoxyphenyl)phenyl]pyrimidin-5-ol

2-[4-(4-decoxyphenyl)phenyl]pyrimidin-5-ol (PubChem CID 139654815) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is 2-[4-(4-decoxyphenyl)phenyl]pyrimidin-5-ol.

Molecular Properties

Compound Name2-[4-(4-decoxyphenyl)phenyl]pyrimidin-5-ol
PubChem CID139654815
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Name2-[4-(4-decoxyphenyl)phenyl]pyrimidin-5-ol
SMILESCCCCCCCCCCOc1ccc(-c2ccc(-c3ncc(O)cn3)cc2)cc1
InChIInChI=1S/C26H32N2O2/c1-2-3-4-5-6-7-8-9-18-30-25-16-14-22(15-17-25)21-10-12-23(13-11-21)26-27-19-24(29)20-28-26/h10-17,19-20,29H,2-9,18H2,1H3
InChIKeyFAMJTHGDPRSKDM-UHFFFAOYSA-N
XLogP7.04
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[5-(4-nonoxyphenyl)pyrimidin-2-yl]phenol
CID 137234830
5-octoxy-2-[4-[7-[4-[5-[7-[4-(4-octoxyphenyl)phenoxy]heptoxy]pyrimidin-2-yl]phenoxy]heptoxy]phenyl]pyrimidine
CID 132525748
2,5-bis(4-hexoxyphenyl)pyrimidine
CID 23167568
4-[4-(5-hexoxypyrimidin-2-yl)phenyl]phenol
CID 136830873
5-heptoxy-2-(4-octoxyphenyl)pyrimidine
CID 14794369
6-[2-(4-hexoxyphenyl)pyrimidin-5-yl]oxyhexan-1-ol
CID 18977783
5-(4-butoxybutoxy)-2-(4-dodecoxyphenyl)pyrimidine
CID 54363602
2-(4-heptoxyphenyl)pyrimidine-5-carboxamide
CID 14745788
5-hexyl-2-(4-octoxyphenyl)pyrimidine
CID 3126246
2-(4-hexoxyphenyl)-5-(10-phenoxydecoxy)pyrimidine
CID 102143365
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-decoxyphenyl)phenyl]pyrimidin-5-ol?
The IUPAC name of 2-[4-(4-decoxyphenyl)phenyl]pyrimidin-5-ol (CID 139654815) is 2-[4-(4-decoxyphenyl)phenyl]pyrimidin-5-ol.
What is the SMILES notation for 2-[4-(4-decoxyphenyl)phenyl]pyrimidin-5-ol?
The canonical SMILES for 2-[4-(4-decoxyphenyl)phenyl]pyrimidin-5-ol is CCCCCCCCCCOc1ccc(-c2ccc(-c3ncc(O)cn3)cc2)cc1.
What is the InChIKey of 2-[4-(4-decoxyphenyl)phenyl]pyrimidin-5-ol?
The InChIKey is FAMJTHGDPRSKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-2-3-4-5-6-7-8-9-18-30-25-16-14-22(15-17-25)21-10-12-23(13-11-21)26-27-19-24(29)20-28-26/h10-17,19-20,29H,2-9,18H2,1H3.
What are the key properties of 2-[4-(4-decoxyphenyl)phenyl]pyrimidin-5-ol?
2-[4-(4-decoxyphenyl)phenyl]pyrimidin-5-ol has a molecular weight of 404.55 g/mol, XLogP of 7.04, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-decoxyphenyl)phenyl]pyrimidin-5-ol is sourced from PubChem (CID 139654815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).