4-chloro-5-iodo-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidine

C13H12ClIN2O — CID 66313014

IUPAC4-chloro-5-iodo-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidine
SMILESCOCc1ccccc1-c1nc(C)c(I)c(Cl)n1
InChIInChI=1S/C13H12ClIN2O/c1-8-11(15)12(14)17-13(16-8)10-6-4-3-5-9(10)7-18-2/h3-6H,7H2,1-2H3
InChIKeyXXAZZXXPBQQXDF-UHFFFAOYSA-N
MW374.61 g/mol
LogP3.86
Rot. Bonds3

About 4-chloro-5-iodo-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidine

4-chloro-5-iodo-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidine (PubChem CID 66313014) has the molecular formula C13H12ClIN2O and a molecular weight of 374.61 g/mol. Its IUPAC name is 4-chloro-5-iodo-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidine
PubChem CID66313014
Molecular FormulaC13H12ClIN2O
Molecular Weight374.61 g/mol
Exact Mass373.97
IUPAC Name4-chloro-5-iodo-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidine
SMILESCOCc1ccccc1-c1nc(C)c(I)c(Cl)n1
InChIInChI=1S/C13H12ClIN2O/c1-8-11(15)12(14)17-13(16-8)10-6-4-3-5-9(10)7-18-2/h3-6H,7H2,1-2H3
InChIKeyXXAZZXXPBQQXDF-UHFFFAOYSA-N
XLogP3.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.61
LogP ≤ 53.86
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-chloro-6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]pyrimidine
CID 66313429
4-chloro-5-iodo-6-methyl-2-naphthalen-1-ylpyrimidine
CID 66293961
5-bromo-4-chloro-6-ethyl-2-[2-(methoxymethyl)phenyl]pyrimidine
CID 66314007
5-bromo-4-chloro-2-[2-(methoxymethyl)phenyl]-6-propylpyrimidine
CID 66312435
6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]-N-methylpyrimidin-4-amine
CID 66295420
5-bromo-N-ethyl-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidin-4-amine
CID 66297841
4-(4-chloro-5-iodo-6-methylpyrimidin-2-yl)-2-methylquinoline
CID 79234699
4,6-dichloro-2-(2-ethylphenyl)-5-methylpyrimidine
CID 55217796
2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine
CID 66312627
4-chloro-5-iodo-2-(6-methoxy-2-pyridinyl)-6-methylpyrimidine
CID 103347901
1-(chloromethyl)-2-[2-(methoxymethyl)phenyl]benzene
CID 139783767
2-(1-benzothiophen-3-yl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
CID 66314227

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-iodo-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidine?
The IUPAC name of 4-chloro-5-iodo-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidine (CID 66313014) is 4-chloro-5-iodo-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidine?
The canonical SMILES for 4-chloro-5-iodo-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidine is COCc1ccccc1-c1nc(C)c(I)c(Cl)n1.
What is the InChIKey of 4-chloro-5-iodo-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidine?
The InChIKey is XXAZZXXPBQQXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClIN2O/c1-8-11(15)12(14)17-13(16-8)10-6-4-3-5-9(10)7-18-2/h3-6H,7H2,1-2H3.
What are the key properties of 4-chloro-5-iodo-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidine?
4-chloro-5-iodo-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidine has a molecular weight of 374.61 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidine is sourced from PubChem (CID 66313014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).