2-(4-hexylphenyl)pyrimidin-5-ol

C16H20N2O — CID 604041

IUPAC2-(4-hexylphenyl)pyrimidin-5-ol
SMILESCCCCCCc1ccc(-c2ncc(O)cn2)cc1
InChIInChI=1S/C16H20N2O/c1-2-3-4-5-6-13-7-9-14(10-8-13)16-17-11-15(19)12-18-16/h7-12,19H,2-6H2,1H3
InChIKeyDAXDAVFMDVPEFK-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.97
Rot. Bonds6

About 2-(4-hexylphenyl)pyrimidin-5-ol

2-(4-hexylphenyl)pyrimidin-5-ol (PubChem CID 604041) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(4-hexylphenyl)pyrimidin-5-ol.

Molecular Properties

Compound Name2-(4-hexylphenyl)pyrimidin-5-ol
PubChem CID604041
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(4-hexylphenyl)pyrimidin-5-ol
SMILESCCCCCCc1ccc(-c2ncc(O)cn2)cc1
InChIInChI=1S/C16H20N2O/c1-2-3-4-5-6-13-7-9-14(10-8-13)16-17-11-15(19)12-18-16/h7-12,19H,2-6H2,1H3
InChIKeyDAXDAVFMDVPEFK-UHFFFAOYSA-N
XLogP3.97
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(4-decylphenyl)pyrimidin-2-yl]phenol
CID 135584460
2-(4-dodecylphenyl)-5-pentadecylpyrimidine
CID 139803541
5-hexyl-2-(4-nonylphenyl)pyrimidine
CID 14227569
5-tetradecyl-2-(4-tridecylphenyl)pyrimidine
CID 139803490
5-dodecyl-2-(4-hexylphenyl)pyrimidine
CID 139803450
5-heptyl-2-(4-tridecylphenyl)pyrimidine
CID 139803426
2-(4-decylphenyl)-5-pentadecylpyrimidine
CID 139803474
5-octyl-2-(4-octylphenyl)pyrimidine
CID 18544772
2-[4-(4-hexylphenyl)phenyl]-5-octylpyrimidine
CID 14178029
5-heptyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyrimidine
CID 19992784
4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenol
CID 137177178
2-(4-heptylphenyl)-5-[(4-hexylphenyl)methoxy]pyrimidine
CID 19992759

Frequently Asked Questions

What is the IUPAC name of 2-(4-hexylphenyl)pyrimidin-5-ol?
The IUPAC name of 2-(4-hexylphenyl)pyrimidin-5-ol (CID 604041) is 2-(4-hexylphenyl)pyrimidin-5-ol.
What is the SMILES notation for 2-(4-hexylphenyl)pyrimidin-5-ol?
The canonical SMILES for 2-(4-hexylphenyl)pyrimidin-5-ol is CCCCCCc1ccc(-c2ncc(O)cn2)cc1.
What is the InChIKey of 2-(4-hexylphenyl)pyrimidin-5-ol?
The InChIKey is DAXDAVFMDVPEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-3-4-5-6-13-7-9-14(10-8-13)16-17-11-15(19)12-18-16/h7-12,19H,2-6H2,1H3.
What are the key properties of 2-(4-hexylphenyl)pyrimidin-5-ol?
2-(4-hexylphenyl)pyrimidin-5-ol has a molecular weight of 256.35 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexylphenyl)pyrimidin-5-ol is sourced from PubChem (CID 604041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).