5-iodo-2-[3-(methoxymethyl)phenoxy]pyrimidine

C12H11IN2O2 — CID 104843800

IUPAC5-iodo-2-[3-(methoxymethyl)phenoxy]pyrimidine
SMILESCOCc1cccc(Oc2ncc(I)cn2)c1
InChIInChI=1S/C12H11IN2O2/c1-16-8-9-3-2-4-11(5-9)17-12-14-6-10(13)7-15-12/h2-7H,8H2,1H3
InChIKeyOYHXRGGJHRMIOD-UHFFFAOYSA-N
MW342.14 g/mol
LogP3.02
Rot. Bonds4

About 5-iodo-2-[3-(methoxymethyl)phenoxy]pyrimidine

5-iodo-2-[3-(methoxymethyl)phenoxy]pyrimidine (PubChem CID 104843800) has the molecular formula C12H11IN2O2 and a molecular weight of 342.14 g/mol. Its IUPAC name is 5-iodo-2-[3-(methoxymethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name5-iodo-2-[3-(methoxymethyl)phenoxy]pyrimidine
PubChem CID104843800
Molecular FormulaC12H11IN2O2
Molecular Weight342.14 g/mol
Exact Mass341.99
IUPAC Name5-iodo-2-[3-(methoxymethyl)phenoxy]pyrimidine
SMILESCOCc1cccc(Oc2ncc(I)cn2)c1
InChIInChI=1S/C12H11IN2O2/c1-16-8-9-3-2-4-11(5-9)17-12-14-6-10(13)7-15-12/h2-7H,8H2,1H3
InChIKeyOYHXRGGJHRMIOD-UHFFFAOYSA-N
XLogP3.02
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 53.02
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

4-[3-(methoxymethyl)phenoxy]quinolin-3-amine
CID 103963726
2-[3-(methoxymethyl)phenoxy]-5-methylpyridine
CID 123576631
[2-[3-(methoxymethyl)phenoxy]pyrimidin-4-yl]methanamine
CID 107542682
2-[3-(methoxymethyl)phenoxy]pyridine
CID 174239052
[6-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methanol
CID 63986464
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
5-iodo-2-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 13336606
[6-[3-(methoxymethyl)phenoxy]-5-methyl-3-pyridinyl]methanamine
CID 80633528
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
4-chloro-6-[3-(methoxymethyl)phenoxy]-N-methyl-1,3,5-triazin-2-amine
CID 80876273
[3-[3-(methoxymethyl)phenoxy]pyrazin-2-yl]methanamine
CID 63984754
2-chloro-6-[3-(methoxymethyl)phenoxy]pyrazine
CID 63985764

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[3-(methoxymethyl)phenoxy]pyrimidine?
The IUPAC name of 5-iodo-2-[3-(methoxymethyl)phenoxy]pyrimidine (CID 104843800) is 5-iodo-2-[3-(methoxymethyl)phenoxy]pyrimidine.
What is the SMILES notation for 5-iodo-2-[3-(methoxymethyl)phenoxy]pyrimidine?
The canonical SMILES for 5-iodo-2-[3-(methoxymethyl)phenoxy]pyrimidine is COCc1cccc(Oc2ncc(I)cn2)c1.
What is the InChIKey of 5-iodo-2-[3-(methoxymethyl)phenoxy]pyrimidine?
The InChIKey is OYHXRGGJHRMIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2O2/c1-16-8-9-3-2-4-11(5-9)17-12-14-6-10(13)7-15-12/h2-7H,8H2,1H3.
What are the key properties of 5-iodo-2-[3-(methoxymethyl)phenoxy]pyrimidine?
5-iodo-2-[3-(methoxymethyl)phenoxy]pyrimidine has a molecular weight of 342.14 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[3-(methoxymethyl)phenoxy]pyrimidine is sourced from PubChem (CID 104843800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).