4-chloro-5-iodo-2-(6-methoxy-2-pyridinyl)-6-methylpyrimidine

C11H9ClIN3O — CID 103347901

IUPAC4-chloro-5-iodo-2-(6-methoxy-2-pyridinyl)-6-methylpyrimidine
SMILESCOc1cccc(-c2nc(C)c(I)c(Cl)n2)n1
InChIInChI=1S/C11H9ClIN3O/c1-6-9(13)10(12)16-11(14-6)7-4-3-5-8(15-7)17-2/h3-5H,1-2H3
InChIKeyFMKMDANMAXPOLU-UHFFFAOYSA-N
MW361.57 g/mol
LogP3.11
Rot. Bonds2

About 4-chloro-5-iodo-2-(6-methoxy-2-pyridinyl)-6-methylpyrimidine

4-chloro-5-iodo-2-(6-methoxy-2-pyridinyl)-6-methylpyrimidine (PubChem CID 103347901) has the molecular formula C11H9ClIN3O and a molecular weight of 361.57 g/mol. Its IUPAC name is 4-chloro-5-iodo-2-(6-methoxy-2-pyridinyl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-2-(6-methoxy-2-pyridinyl)-6-methylpyrimidine
PubChem CID103347901
Molecular FormulaC11H9ClIN3O
Molecular Weight361.57 g/mol
Exact Mass360.95
IUPAC Name4-chloro-5-iodo-2-(6-methoxy-2-pyridinyl)-6-methylpyrimidine
SMILESCOc1cccc(-c2nc(C)c(I)c(Cl)n2)n1
InChIInChI=1S/C11H9ClIN3O/c1-6-9(13)10(12)16-11(14-6)7-4-3-5-8(15-7)17-2/h3-5H,1-2H3
InChIKeyFMKMDANMAXPOLU-UHFFFAOYSA-N
XLogP3.11
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.57
LogP ≤ 53.11
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-4-chloro-2-(6-methoxy-2-pyridinyl)pyrimidine
CID 103347910
5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-propylpyrimidine
CID 103347902
5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-(2-methylpropyl)pyrimidine
CID 103347915
5-iodo-2-(6-methoxy-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 103348431
4-chloro-5-iodo-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidine
CID 66313014
4-chloro-5-iodo-6-methyl-2-(2,4,6-trimethoxyphenyl)pyrimidine
CID 66311459
5-iodo-6-(methoxymethyl)-2-(6-methoxy-2-pyridinyl)-N-methylpyrimidin-4-amine
CID 103348437
4-chloro-5-iodo-6-methyl-2-(3-propan-2-yloxyphenyl)pyrimidine
CID 66313598
4-chloro-2-(3-fluoro-4-methoxyphenyl)-5-iodo-6-methylpyrimidine
CID 66312624
2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine
CID 66312627
2-(2-chlorophenyl)-6-methoxypyridine
CID 121009188
4-chloro-5-iodo-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine
CID 130598650

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-iodo-2-(6-methoxy-2-pyridinyl)-6-methylpyrimidine?
The IUPAC name of 4-chloro-5-iodo-2-(6-methoxy-2-pyridinyl)-6-methylpyrimidine (CID 103347901) is 4-chloro-5-iodo-2-(6-methoxy-2-pyridinyl)-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-2-(6-methoxy-2-pyridinyl)-6-methylpyrimidine?
The canonical SMILES for 4-chloro-5-iodo-2-(6-methoxy-2-pyridinyl)-6-methylpyrimidine is COc1cccc(-c2nc(C)c(I)c(Cl)n2)n1.
What is the InChIKey of 4-chloro-5-iodo-2-(6-methoxy-2-pyridinyl)-6-methylpyrimidine?
The InChIKey is FMKMDANMAXPOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClIN3O/c1-6-9(13)10(12)16-11(14-6)7-4-3-5-8(15-7)17-2/h3-5H,1-2H3.
What are the key properties of 4-chloro-5-iodo-2-(6-methoxy-2-pyridinyl)-6-methylpyrimidine?
4-chloro-5-iodo-2-(6-methoxy-2-pyridinyl)-6-methylpyrimidine has a molecular weight of 361.57 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-2-(6-methoxy-2-pyridinyl)-6-methylpyrimidine is sourced from PubChem (CID 103347901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).