2-(4-iodophenoxy)-4-methylpyrimidine

C11H9IN2O — CID 62958901

IUPAC2-(4-iodophenoxy)-4-methylpyrimidine
SMILESCc1ccnc(Oc2ccc(I)cc2)n1
InChIInChI=1S/C11H9IN2O/c1-8-6-7-13-11(14-8)15-10-4-2-9(12)3-5-10/h2-7H,1H3
InChIKeyBTJDZWJAUIQZMB-UHFFFAOYSA-N
MW312.11 g/mol
LogP3.18
Rot. Bonds2

About 2-(4-iodophenoxy)-4-methylpyrimidine

2-(4-iodophenoxy)-4-methylpyrimidine (PubChem CID 62958901) has the molecular formula C11H9IN2O and a molecular weight of 312.11 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-4-methylpyrimidine.

Molecular Properties

Compound Name2-(4-iodophenoxy)-4-methylpyrimidine
PubChem CID62958901
Molecular FormulaC11H9IN2O
Molecular Weight312.11 g/mol
Exact Mass311.98
IUPAC Name2-(4-iodophenoxy)-4-methylpyrimidine
SMILESCc1ccnc(Oc2ccc(I)cc2)n1
InChIInChI=1S/C11H9IN2O/c1-8-6-7-13-11(14-8)15-10-4-2-9(12)3-5-10/h2-7H,1H3
InChIKeyBTJDZWJAUIQZMB-UHFFFAOYSA-N
XLogP3.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 53.18
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

4-methyl-2-(4-methylphenoxy)pyrimidine
CID 155309034
2-(4-bromophenoxy)-4-methylpyrimidine
CID 62958719
4-methyl-2-pyridin-3-yloxypyrimidine
CID 155798550
3-methyl-5-(4-methylpyrimidin-2-yl)oxyphenol
CID 107680799
3-(4-iodophenoxy)-5,6-dimethyl-1,2,4-triazine
CID 114448087
2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine
CID 104707648
4-chloro-2-(4-methylphenoxy)pyrimidine
CID 22675087
5-(4-methylpyrimidin-2-yl)oxy-2,3-dihydroinden-1-one
CID 133486464
2-(4-iodophenoxy)-3-methylpyrazine
CID 83063242
1-amino-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]cyclopentane-1-carboxamide
CID 119340030
1-iodo-4-[4-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494530
4-(4-iodophenoxy)-N,N-dimethylpyrimidin-2-amine
CID 64829666

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-4-methylpyrimidine?
The IUPAC name of 2-(4-iodophenoxy)-4-methylpyrimidine (CID 62958901) is 2-(4-iodophenoxy)-4-methylpyrimidine.
What is the SMILES notation for 2-(4-iodophenoxy)-4-methylpyrimidine?
The canonical SMILES for 2-(4-iodophenoxy)-4-methylpyrimidine is Cc1ccnc(Oc2ccc(I)cc2)n1.
What is the InChIKey of 2-(4-iodophenoxy)-4-methylpyrimidine?
The InChIKey is BTJDZWJAUIQZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2O/c1-8-6-7-13-11(14-8)15-10-4-2-9(12)3-5-10/h2-7H,1H3.
What are the key properties of 2-(4-iodophenoxy)-4-methylpyrimidine?
2-(4-iodophenoxy)-4-methylpyrimidine has a molecular weight of 312.11 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-4-methylpyrimidine is sourced from PubChem (CID 62958901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).