decan-1-ol;5-methyl-2-(4-methylphenyl)pyrimidine

C22H34N2O — CID 91592914

IUPACdecan-1-ol;5-methyl-2-(4-methylphenyl)pyrimidine
SMILESCCCCCCCCCCO.Cc1ccc(-c2ncc(C)cn2)cc1
InChIInChI=1S/C12H12N2.C10H22O/c1-9-3-5-11(6-4-9)12-13-7-10(2)8-14-12;1-2-3-4-5-6-7-8-9-10-11/h3-8H,1-2H3;11H,2-10H2,1H3
InChIKeyMXFWMQKESMJRNL-UHFFFAOYSA-N
MW342.53 g/mol
LogP5.88
Rot. Bonds9

About decan-1-ol;5-methyl-2-(4-methylphenyl)pyrimidine

decan-1-ol;5-methyl-2-(4-methylphenyl)pyrimidine (PubChem CID 91592914) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is decan-1-ol;5-methyl-2-(4-methylphenyl)pyrimidine.

Molecular Properties

Compound Namedecan-1-ol;5-methyl-2-(4-methylphenyl)pyrimidine
PubChem CID91592914
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Namedecan-1-ol;5-methyl-2-(4-methylphenyl)pyrimidine
SMILESCCCCCCCCCCO.Cc1ccc(-c2ncc(C)cn2)cc1
InChIInChI=1S/C12H12N2.C10H22O/c1-9-3-5-11(6-4-9)12-13-7-10(2)8-14-12;1-2-3-4-5-6-7-8-9-10-11/h3-8H,1-2H3;11H,2-10H2,1H3
InChIKeyMXFWMQKESMJRNL-UHFFFAOYSA-N
XLogP5.88
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 55.88
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

6-[2-(4-hexoxyphenyl)pyrimidin-5-yl]oxyhexan-1-ol
CID 18977783
5-hexyl-2-[4-(4-methylphenyl)phenyl]pyrimidine
CID 22090391
5-dodecoxy-2-(4-methylphenyl)pyrimidine
CID 18716574
2-(4-methylphenyl)-5-(5-methylpyrimidin-2-yl)pyrimidine
CID 90064783
4-(5-methylpyrimidin-2-yl)phenol
CID 135581358
5-heptyl-2-(4-tridecylphenyl)pyrimidine
CID 139803426
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
2-(4-decylphenyl)-5-pentadecylpyrimidine
CID 139803474
5-octyl-2-(4-octylphenyl)pyrimidine
CID 18544772

Frequently Asked Questions

What is the IUPAC name of decan-1-ol;5-methyl-2-(4-methylphenyl)pyrimidine?
The IUPAC name of decan-1-ol;5-methyl-2-(4-methylphenyl)pyrimidine (CID 91592914) is decan-1-ol;5-methyl-2-(4-methylphenyl)pyrimidine.
What is the SMILES notation for decan-1-ol;5-methyl-2-(4-methylphenyl)pyrimidine?
The canonical SMILES for decan-1-ol;5-methyl-2-(4-methylphenyl)pyrimidine is CCCCCCCCCCO.Cc1ccc(-c2ncc(C)cn2)cc1.
What is the InChIKey of decan-1-ol;5-methyl-2-(4-methylphenyl)pyrimidine?
The InChIKey is MXFWMQKESMJRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.C10H22O/c1-9-3-5-11(6-4-9)12-13-7-10(2)8-14-12;1-2-3-4-5-6-7-8-9-10-11/h3-8H,1-2H3;11H,2-10H2,1H3.
What are the key properties of decan-1-ol;5-methyl-2-(4-methylphenyl)pyrimidine?
decan-1-ol;5-methyl-2-(4-methylphenyl)pyrimidine has a molecular weight of 342.53 g/mol, XLogP of 5.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decan-1-ol;5-methyl-2-(4-methylphenyl)pyrimidine is sourced from PubChem (CID 91592914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).