4-(4-butylphenoxy)-2-chloro-5-methylpyrimidine

C15H17ClN2O — CID 115492565

IUPAC4-(4-butylphenoxy)-2-chloro-5-methylpyrimidine
SMILESCCCCc1ccc(Oc2nc(Cl)ncc2C)cc1
InChIInChI=1S/C15H17ClN2O/c1-3-4-5-12-6-8-13(9-7-12)19-14-11(2)10-17-15(16)18-14/h6-10H,3-5H2,1-2H3
InChIKeyQEDACIKEOWUPDK-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.57
Rot. Bonds5

About 4-(4-butylphenoxy)-2-chloro-5-methylpyrimidine

4-(4-butylphenoxy)-2-chloro-5-methylpyrimidine (PubChem CID 115492565) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-(4-butylphenoxy)-2-chloro-5-methylpyrimidine.

Molecular Properties

Compound Name4-(4-butylphenoxy)-2-chloro-5-methylpyrimidine
PubChem CID115492565
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-(4-butylphenoxy)-2-chloro-5-methylpyrimidine
SMILESCCCCc1ccc(Oc2nc(Cl)ncc2C)cc1
InChIInChI=1S/C15H17ClN2O/c1-3-4-5-12-6-8-13(9-7-12)19-14-11(2)10-17-15(16)18-14/h6-10H,3-5H2,1-2H3
InChIKeyQEDACIKEOWUPDK-UHFFFAOYSA-N
XLogP4.57
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-(4-butylphenoxy)-2-chloropyrimidine
CID 113322673
2,5-dichloro-4-(4-propylphenoxy)pyrimidine
CID 79632471
6-(4-butylphenoxy)-5-methylpyridin-3-amine
CID 115492232
3-(4-butylphenoxy)-6-chloro-4,5-dimethylpyridazine
CID 115492558
3-bromo-2-(4-butylphenoxy)-4-methylpyridine
CID 106878070
2-(4-butylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine
CID 115492564
4-(4-bromo-3-methylphenoxy)-2-chloro-5-methylpyrimidine
CID 83132767
2,5-dichloro-4-(4-propoxyphenoxy)pyrimidine
CID 79632151
4-(4-butylphenoxy)-6-chloro-5-propan-2-ylpyrimidine
CID 115492542
1-methyl-4-(4-pentylphenoxy)benzene
CID 142415125
2-(4-butylphenoxy)-4-methylpyridine-3-carboxylic acid
CID 115493466
4-(4-butylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 115493705

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylphenoxy)-2-chloro-5-methylpyrimidine?
The IUPAC name of 4-(4-butylphenoxy)-2-chloro-5-methylpyrimidine (CID 115492565) is 4-(4-butylphenoxy)-2-chloro-5-methylpyrimidine.
What is the SMILES notation for 4-(4-butylphenoxy)-2-chloro-5-methylpyrimidine?
The canonical SMILES for 4-(4-butylphenoxy)-2-chloro-5-methylpyrimidine is CCCCc1ccc(Oc2nc(Cl)ncc2C)cc1.
What is the InChIKey of 4-(4-butylphenoxy)-2-chloro-5-methylpyrimidine?
The InChIKey is QEDACIKEOWUPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-3-4-5-12-6-8-13(9-7-12)19-14-11(2)10-17-15(16)18-14/h6-10H,3-5H2,1-2H3.
What are the key properties of 4-(4-butylphenoxy)-2-chloro-5-methylpyrimidine?
4-(4-butylphenoxy)-2-chloro-5-methylpyrimidine has a molecular weight of 276.77 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylphenoxy)-2-chloro-5-methylpyrimidine is sourced from PubChem (CID 115492565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).