2-(4-butylphenoxy)-5-iodopyrimidine

C14H15IN2O — CID 116649242

IUPAC2-(4-butylphenoxy)-5-iodopyrimidine
SMILESCCCCc1ccc(Oc2ncc(I)cn2)cc1
InChIInChI=1S/C14H15IN2O/c1-2-3-4-11-5-7-13(8-6-11)18-14-16-9-12(15)10-17-14/h5-10H,2-4H2,1H3
InChIKeyBRDYIFZVPJTXIO-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.22
Rot. Bonds5

About 2-(4-butylphenoxy)-5-iodopyrimidine

2-(4-butylphenoxy)-5-iodopyrimidine (PubChem CID 116649242) has the molecular formula C14H15IN2O and a molecular weight of 354.19 g/mol. Its IUPAC name is 2-(4-butylphenoxy)-5-iodopyrimidine.

Molecular Properties

Compound Name2-(4-butylphenoxy)-5-iodopyrimidine
PubChem CID116649242
Molecular FormulaC14H15IN2O
Molecular Weight354.19 g/mol
Exact Mass354.02
IUPAC Name2-(4-butylphenoxy)-5-iodopyrimidine
SMILESCCCCc1ccc(Oc2ncc(I)cn2)cc1
InChIInChI=1S/C14H15IN2O/c1-2-3-4-11-5-7-13(8-6-11)18-14-16-9-12(15)10-17-14/h5-10H,2-4H2,1H3
InChIKeyBRDYIFZVPJTXIO-UHFFFAOYSA-N
XLogP4.22
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(5-iodopyrimidin-2-yl)oxyphenyl]ethanol
CID 104844198
2-(4-butylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine
CID 115492564
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
5-(4-butylphenoxy)pyrazin-2-amine
CID 113322810
6-(4-butylphenoxy)-5-methylpyridin-3-amine
CID 115492232
5-(4-butylphenoxy)-2-methylsulfonylpyridine
CID 163959552
4-(4-butylphenoxy)-2-chloro-5-methylpyrimidine
CID 115492565
5-bromo-4-(4-butylphenoxy)-2-chloropyrimidine
CID 113322673
tributyl-(5-iodopyrimidin-2-yl)oxystannane
CID 16701676
2-[4-[2-(4-butylphenyl)ethyl]phenyl]-5-ethoxypyridine
CID 19841825
O-(4-butylphenyl)hydroxylamine
CID 176620577
4-(4-butylphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 115492551

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenoxy)-5-iodopyrimidine?
The IUPAC name of 2-(4-butylphenoxy)-5-iodopyrimidine (CID 116649242) is 2-(4-butylphenoxy)-5-iodopyrimidine.
What is the SMILES notation for 2-(4-butylphenoxy)-5-iodopyrimidine?
The canonical SMILES for 2-(4-butylphenoxy)-5-iodopyrimidine is CCCCc1ccc(Oc2ncc(I)cn2)cc1.
What is the InChIKey of 2-(4-butylphenoxy)-5-iodopyrimidine?
The InChIKey is BRDYIFZVPJTXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2O/c1-2-3-4-11-5-7-13(8-6-11)18-14-16-9-12(15)10-17-14/h5-10H,2-4H2,1H3.
What are the key properties of 2-(4-butylphenoxy)-5-iodopyrimidine?
2-(4-butylphenoxy)-5-iodopyrimidine has a molecular weight of 354.19 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenoxy)-5-iodopyrimidine is sourced from PubChem (CID 116649242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).