2-(2-iodophenoxy)-4,6-dimethylpyrimidine

C12H11IN2O — CID 61400111

IUPAC2-(2-iodophenoxy)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(Oc2ccccc2I)n1
InChIInChI=1S/C12H11IN2O/c1-8-7-9(2)15-12(14-8)16-11-6-4-3-5-10(11)13/h3-7H,1-2H3
InChIKeyWKLXNSSTOWTONO-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.49
Rot. Bonds2

About 2-(2-iodophenoxy)-4,6-dimethylpyrimidine

2-(2-iodophenoxy)-4,6-dimethylpyrimidine (PubChem CID 61400111) has the molecular formula C12H11IN2O and a molecular weight of 326.14 g/mol. Its IUPAC name is 2-(2-iodophenoxy)-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(2-iodophenoxy)-4,6-dimethylpyrimidine
PubChem CID61400111
Molecular FormulaC12H11IN2O
Molecular Weight326.14 g/mol
Exact Mass325.99
IUPAC Name2-(2-iodophenoxy)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(Oc2ccccc2I)n1
InChIInChI=1S/C12H11IN2O/c1-8-7-9(2)15-12(14-8)16-11-6-4-3-5-10(11)13/h3-7H,1-2H3
InChIKeyWKLXNSSTOWTONO-UHFFFAOYSA-N
XLogP3.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 53.49
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-(4,6-dimethylpyrimidin-2-yl)oxyphenol
CID 60868956
2-(2-fluorophenoxy)-4,6-dimethylpyrimidine
CID 671376
2-(2-bromophenoxy)-6-methylpyrimidin-4-amine
CID 90313951
1-iodo-2-(4-methoxyphenoxy)benzene
CID 11347944
5-chloro-2-(2-iodophenoxy)pyrimidine
CID 79556845
3-(2-iodophenoxy)-5-methylpyridazine
CID 106549372
2-bromo-6-(2-iodophenoxy)pyridine
CID 63962345
3-iodo-2-(2-iodophenoxy)pyridine
CID 11475735
2-(2-iodophenoxy)-6-methyl-3-nitropyridine
CID 81131791
N-ethyl-4-(2-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80874891
1-(2-iodophenoxy)-4-methylphthalazine
CID 60965908
N,N-diethyl-4-hydrazinyl-6-(2-iodophenoxy)-1,3,5-triazin-2-amine
CID 80913258

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodophenoxy)-4,6-dimethylpyrimidine?
The IUPAC name of 2-(2-iodophenoxy)-4,6-dimethylpyrimidine (CID 61400111) is 2-(2-iodophenoxy)-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-(2-iodophenoxy)-4,6-dimethylpyrimidine?
The canonical SMILES for 2-(2-iodophenoxy)-4,6-dimethylpyrimidine is Cc1cc(C)nc(Oc2ccccc2I)n1.
What is the InChIKey of 2-(2-iodophenoxy)-4,6-dimethylpyrimidine?
The InChIKey is WKLXNSSTOWTONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2O/c1-8-7-9(2)15-12(14-8)16-11-6-4-3-5-10(11)13/h3-7H,1-2H3.
What are the key properties of 2-(2-iodophenoxy)-4,6-dimethylpyrimidine?
2-(2-iodophenoxy)-4,6-dimethylpyrimidine has a molecular weight of 326.14 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenoxy)-4,6-dimethylpyrimidine is sourced from PubChem (CID 61400111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).