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

C17H22N2O — CID 57239148

IUPAC2-(4-hexylphenyl)-4-methylpyrimidin-5-ol
SMILESCCCCCCc1ccc(-c2ncc(O)c(C)n2)cc1
InChIInChI=1S/C17H22N2O/c1-3-4-5-6-7-14-8-10-15(11-9-14)17-18-12-16(20)13(2)19-17/h8-12,20H,3-7H2,1-2H3
InChIKeyQXXALKHHGBTWOF-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.28
Rot. Bonds6

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

2-(4-hexylphenyl)-4-methylpyrimidin-5-ol (PubChem CID 57239148) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(4-hexylphenyl)-4-methylpyrimidin-5-ol.

Molecular Properties

Compound Name2-(4-hexylphenyl)-4-methylpyrimidin-5-ol
PubChem CID57239148
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(4-hexylphenyl)-4-methylpyrimidin-5-ol
SMILESCCCCCCc1ccc(-c2ncc(O)c(C)n2)cc1
InChIInChI=1S/C17H22N2O/c1-3-4-5-6-7-14-8-10-15(11-9-14)17-18-12-16(20)13(2)19-17/h8-12,20H,3-7H2,1-2H3
InChIKeyQXXALKHHGBTWOF-UHFFFAOYSA-N
XLogP4.28
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-hexylphenyl)-4-methylpyrimidin-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-bis(4,5-dimethylpyrimidin-2-yl)-6-(4-hexylphenyl)-1,3,5-triazine
CID 118119388
2-(4-hexylphenyl)pyrimidin-5-ol
CID 604041
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-[5-(4-decylphenyl)pyrimidin-2-yl]phenol
CID 135584460

Frequently Asked Questions

What is the IUPAC name of 2-(4-hexylphenyl)-4-methylpyrimidin-5-ol?
The IUPAC name of 2-(4-hexylphenyl)-4-methylpyrimidin-5-ol (CID 57239148) is 2-(4-hexylphenyl)-4-methylpyrimidin-5-ol.
What is the SMILES notation for 2-(4-hexylphenyl)-4-methylpyrimidin-5-ol?
The canonical SMILES for 2-(4-hexylphenyl)-4-methylpyrimidin-5-ol is CCCCCCc1ccc(-c2ncc(O)c(C)n2)cc1.
What is the InChIKey of 2-(4-hexylphenyl)-4-methylpyrimidin-5-ol?
The InChIKey is QXXALKHHGBTWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-4-5-6-7-14-8-10-15(11-9-14)17-18-12-16(20)13(2)19-17/h8-12,20H,3-7H2,1-2H3.
What are the key properties of 2-(4-hexylphenyl)-4-methylpyrimidin-5-ol?
2-(4-hexylphenyl)-4-methylpyrimidin-5-ol has a molecular weight of 270.38 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexylphenyl)-4-methylpyrimidin-5-ol is sourced from PubChem (CID 57239148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).