4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine

C12H14ClIN4O — CID 112670237

IUPAC4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine
SMILESCCc1nn(C)cc1-c1nc(Cl)c(I)c(COC)n1
InChIInChI=1S/C12H14ClIN4O/c1-4-8-7(5-18(2)17-8)12-15-9(6-19-3)10(14)11(13)16-12/h5H,4,6H2,1-3H3
InChIKeyALMHDAHDFQOBSE-UHFFFAOYSA-N
MW392.63 g/mol
LogP2.84
Rot. Bonds4

About 4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine

4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine (PubChem CID 112670237) has the molecular formula C12H14ClIN4O and a molecular weight of 392.63 g/mol. Its IUPAC name is 4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine
PubChem CID112670237
Molecular FormulaC12H14ClIN4O
Molecular Weight392.63 g/mol
Exact Mass391.99
IUPAC Name4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine
SMILESCCc1nn(C)cc1-c1nc(Cl)c(I)c(COC)n1
InChIInChI=1S/C12H14ClIN4O/c1-4-8-7(5-18(2)17-8)12-15-9(6-19-3)10(14)11(13)16-12/h5H,4,6H2,1-3H3
InChIKeyALMHDAHDFQOBSE-UHFFFAOYSA-N
XLogP2.84
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.63
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4,6-dichloro-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine
CID 112670214
4-chloro-6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]pyrimidine
CID 66313429
2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136920223
4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 103570156
5-bromo-4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyrimidine
CID 112670230
4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66314228
4-chloro-2-(3,5-dimethylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66313448
4-chloro-6-ethyl-5-iodo-2-(3-propylimidazol-4-yl)pyrimidine
CID 66311677
2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 112671008
5-bromo-6-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 112671013
4-chloro-5-iodo-6-(methoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine
CID 66294897
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-2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine (CID 112670237) is 4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine is CCc1nn(C)cc1-c1nc(Cl)c(I)c(COC)n1.
What is the InChIKey of 4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine?
The InChIKey is ALMHDAHDFQOBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClIN4O/c1-4-8-7(5-18(2)17-8)12-15-9(6-19-3)10(14)11(13)16-12/h5H,4,6H2,1-3H3.
What are the key properties of 4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine?
4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine has a molecular weight of 392.63 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 112670237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).