4-chloro-5-iodo-2-(2-methoxyethyl)-6-(methoxymethyl)pyrimidine

C9H12ClIN2O2 — CID 66293245

IUPAC4-chloro-5-iodo-2-(2-methoxyethyl)-6-(methoxymethyl)pyrimidine
SMILESCOCCc1nc(Cl)c(I)c(COC)n1
InChIInChI=1S/C9H12ClIN2O2/c1-14-4-3-7-12-6(5-15-2)8(11)9(10)13-7/h3-5H2,1-2H3
InChIKeyVTCVEPQBPVMFKC-UHFFFAOYSA-N
MW342.56 g/mol
LogP2.07
Rot. Bonds5

About 4-chloro-5-iodo-2-(2-methoxyethyl)-6-(methoxymethyl)pyrimidine

4-chloro-5-iodo-2-(2-methoxyethyl)-6-(methoxymethyl)pyrimidine (PubChem CID 66293245) has the molecular formula C9H12ClIN2O2 and a molecular weight of 342.56 g/mol. Its IUPAC name is 4-chloro-5-iodo-2-(2-methoxyethyl)-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-2-(2-methoxyethyl)-6-(methoxymethyl)pyrimidine
PubChem CID66293245
Molecular FormulaC9H12ClIN2O2
Molecular Weight342.56 g/mol
Exact Mass341.96
IUPAC Name4-chloro-5-iodo-2-(2-methoxyethyl)-6-(methoxymethyl)pyrimidine
SMILESCOCCc1nc(Cl)c(I)c(COC)n1
InChIInChI=1S/C9H12ClIN2O2/c1-14-4-3-7-12-6(5-15-2)8(11)9(10)13-7/h3-5H2,1-2H3
InChIKeyVTCVEPQBPVMFKC-UHFFFAOYSA-N
XLogP2.07
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.56
LogP ≤ 52.07
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-chloro-6-ethyl-5-iodo-2-(2-methoxyethyl)pyrimidine
CID 66292183
2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-N,N-dimethylethanamine
CID 115345630
4-chloro-5-iodo-6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidine
CID 79954743
4-chloro-5-iodo-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine
CID 66293865
4-chloro-5-iodo-6-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]pyrimidine
CID 66292026
5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methoxypropyl)pyrimidine
CID 66293231
4-[[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]methyl]-2-methyl-1,3-thiazole
CID 66292433
5-iodo-6-(methoxymethyl)-2-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 66301389
2-[(3-bromophenyl)methyl]-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
CID 66293662
4-chloro-2-(2-methoxyethyl)-5,6-dimethylpyrimidine
CID 61412813
2-[[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]methyl]-1H-benzimidazole
CID 66293043
4,6-dichloro-5-(4-chlorophenyl)-2-(2-methoxyethyl)pyrimidine
CID 79438112

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-iodo-2-(2-methoxyethyl)-6-(methoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-5-iodo-2-(2-methoxyethyl)-6-(methoxymethyl)pyrimidine (CID 66293245) is 4-chloro-5-iodo-2-(2-methoxyethyl)-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-2-(2-methoxyethyl)-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-5-iodo-2-(2-methoxyethyl)-6-(methoxymethyl)pyrimidine is COCCc1nc(Cl)c(I)c(COC)n1.
What is the InChIKey of 4-chloro-5-iodo-2-(2-methoxyethyl)-6-(methoxymethyl)pyrimidine?
The InChIKey is VTCVEPQBPVMFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClIN2O2/c1-14-4-3-7-12-6(5-15-2)8(11)9(10)13-7/h3-5H2,1-2H3.
What are the key properties of 4-chloro-5-iodo-2-(2-methoxyethyl)-6-(methoxymethyl)pyrimidine?
4-chloro-5-iodo-2-(2-methoxyethyl)-6-(methoxymethyl)pyrimidine has a molecular weight of 342.56 g/mol, XLogP of 2.07, 5 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-(2-methoxyethyl)-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 66293245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).