5-iodo-4-[(4-methoxyphenyl)methoxy]pyrimidine

C12H11IN2O2 — CID 66317781

IUPAC5-iodo-4-[(4-methoxyphenyl)methoxy]pyrimidine
SMILESCOc1ccc(COc2ncncc2I)cc1
InChIInChI=1S/C12H11IN2O2/c1-16-10-4-2-9(3-5-10)7-17-12-11(13)6-14-8-15-12/h2-6,8H,7H2,1H3
InChIKeyVASUDGFGSZTILQ-UHFFFAOYSA-N
MW342.14 g/mol
LogP2.67
Rot. Bonds4

About 5-iodo-4-[(4-methoxyphenyl)methoxy]pyrimidine

5-iodo-4-[(4-methoxyphenyl)methoxy]pyrimidine (PubChem CID 66317781) has the molecular formula C12H11IN2O2 and a molecular weight of 342.14 g/mol. Its IUPAC name is 5-iodo-4-[(4-methoxyphenyl)methoxy]pyrimidine.

Molecular Properties

Compound Name5-iodo-4-[(4-methoxyphenyl)methoxy]pyrimidine
PubChem CID66317781
Molecular FormulaC12H11IN2O2
Molecular Weight342.14 g/mol
Exact Mass341.99
IUPAC Name5-iodo-4-[(4-methoxyphenyl)methoxy]pyrimidine
SMILESCOc1ccc(COc2ncncc2I)cc1
InChIInChI=1S/C12H11IN2O2/c1-16-10-4-2-9(3-5-10)7-17-12-11(13)6-14-8-15-12/h2-6,8H,7H2,1H3
InChIKeyVASUDGFGSZTILQ-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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-bromo-2-iodo-3-[(4-methoxyphenyl)methoxy]pyrazine
CID 134183192
4-[(4-methoxyphenyl)methoxy]pyrimidine
CID 162347071
5-iodo-4-[(4-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 66973750
5-iodo-4-(3-methoxyphenoxy)pyrimidine
CID 66320020
5-[4-[(4-methoxyphenyl)methoxy]phenyl]pyrimidin-4-amine
CID 175815577
5-ethyl-6-[(4-methoxyphenyl)methoxy]-N-methylpyrimidin-4-amine
CID 80867429
4-iodo-2-[(4-methoxyphenyl)methoxy]-5-methylpyridine
CID 157251524
5-bromo-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-amine
CID 114073066
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
[5-ethyl-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]hydrazine
CID 80913387
5-iodo-N-(4-methoxyphenyl)pyrimidin-4-amine
CID 66341469
6-[(4-methoxyphenyl)methoxy]-N-methyl-5-propylpyrimidin-4-amine
CID 80845675

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[(4-methoxyphenyl)methoxy]pyrimidine?
The IUPAC name of 5-iodo-4-[(4-methoxyphenyl)methoxy]pyrimidine (CID 66317781) is 5-iodo-4-[(4-methoxyphenyl)methoxy]pyrimidine.
What is the SMILES notation for 5-iodo-4-[(4-methoxyphenyl)methoxy]pyrimidine?
The canonical SMILES for 5-iodo-4-[(4-methoxyphenyl)methoxy]pyrimidine is COc1ccc(COc2ncncc2I)cc1.
What is the InChIKey of 5-iodo-4-[(4-methoxyphenyl)methoxy]pyrimidine?
The InChIKey is VASUDGFGSZTILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2O2/c1-16-10-4-2-9(3-5-10)7-17-12-11(13)6-14-8-15-12/h2-6,8H,7H2,1H3.
What are the key properties of 5-iodo-4-[(4-methoxyphenyl)methoxy]pyrimidine?
5-iodo-4-[(4-methoxyphenyl)methoxy]pyrimidine has a molecular weight of 342.14 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[(4-methoxyphenyl)methoxy]pyrimidine is sourced from PubChem (CID 66317781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).