5-iodo-4-(3-methoxyphenoxy)pyrimidine

C11H9IN2O2 — CID 66320020

IUPAC5-iodo-4-(3-methoxyphenoxy)pyrimidine
SMILESCOc1cccc(Oc2ncncc2I)c1
InChIInChI=1S/C11H9IN2O2/c1-15-8-3-2-4-9(5-8)16-11-10(12)6-13-7-14-11/h2-7H,1H3
InChIKeyZDUYWSTZTYJONE-UHFFFAOYSA-N
MW328.11 g/mol
LogP2.88
Rot. Bonds3

About 5-iodo-4-(3-methoxyphenoxy)pyrimidine

5-iodo-4-(3-methoxyphenoxy)pyrimidine (PubChem CID 66320020) has the molecular formula C11H9IN2O2 and a molecular weight of 328.11 g/mol. Its IUPAC name is 5-iodo-4-(3-methoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name5-iodo-4-(3-methoxyphenoxy)pyrimidine
PubChem CID66320020
Molecular FormulaC11H9IN2O2
Molecular Weight328.11 g/mol
Exact Mass327.97
IUPAC Name5-iodo-4-(3-methoxyphenoxy)pyrimidine
SMILESCOc1cccc(Oc2ncncc2I)c1
InChIInChI=1S/C11H9IN2O2/c1-15-8-3-2-4-9(5-8)16-11-10(12)6-13-7-14-11/h2-7H,1H3
InChIKeyZDUYWSTZTYJONE-UHFFFAOYSA-N
XLogP2.88
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.11
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-(4-methylsulfanylphenoxy)pyrimidine
CID 66319830
5-iodo-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine
CID 66321198
4-(3-methoxyphenoxy)pyrimidine
CID 140584284
5-iodo-4-[(4-methoxyphenyl)methoxy]pyrimidine
CID 66317781
4-(3-methoxyphenoxy)-1-methylpyrazolo[5,4-d]pyrimidine
CID 154460653
5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine
CID 80863933
4-(2,4-dibromophenoxy)-5-iodopyrimidine
CID 66319605
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
5-bromo-4-(4-methoxyphenoxy)pyrimidine
CID 66317769
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(3-methoxyphenoxy)pyrimidine?
The IUPAC name of 5-iodo-4-(3-methoxyphenoxy)pyrimidine (CID 66320020) is 5-iodo-4-(3-methoxyphenoxy)pyrimidine.
What is the SMILES notation for 5-iodo-4-(3-methoxyphenoxy)pyrimidine?
The canonical SMILES for 5-iodo-4-(3-methoxyphenoxy)pyrimidine is COc1cccc(Oc2ncncc2I)c1.
What is the InChIKey of 5-iodo-4-(3-methoxyphenoxy)pyrimidine?
The InChIKey is ZDUYWSTZTYJONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2O2/c1-15-8-3-2-4-9(5-8)16-11-10(12)6-13-7-14-11/h2-7H,1H3.
What are the key properties of 5-iodo-4-(3-methoxyphenoxy)pyrimidine?
5-iodo-4-(3-methoxyphenoxy)pyrimidine has a molecular weight of 328.11 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(3-methoxyphenoxy)pyrimidine is sourced from PubChem (CID 66320020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).