2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-4-(methoxymethyl)-1H-pyrimidin-6-one

C12H15IN4O2 — CID 136920223

IUPAC2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCCc1nn(C)cc1-c1nc(COC)c(I)c(=O)[nH]1
InChIInChI=1S/C12H15IN4O2/c1-4-8-7(5-17(2)16-8)11-14-9(6-19-3)10(13)12(18)15-11/h5H,4,6H2,1-3H3,(H,14,15,18)
InChIKeyHJMJDEYVWDVUSG-UHFFFAOYSA-N
MW374.18 g/mol
LogP1.48
Rot. Bonds4

About 2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-4-(methoxymethyl)-1H-pyrimidin-6-one

2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-4-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 136920223) has the molecular formula C12H15IN4O2 and a molecular weight of 374.18 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-4-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-4-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID136920223
Molecular FormulaC12H15IN4O2
Molecular Weight374.18 g/mol
Exact Mass374.02
IUPAC Name2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCCc1nn(C)cc1-c1nc(COC)c(I)c(=O)[nH]1
InChIInChI=1S/C12H15IN4O2/c1-4-8-7(5-17(2)16-8)11-14-9(6-19-3)10(13)12(18)15-11/h5H,4,6H2,1-3H3,(H,14,15,18)
InChIKeyHJMJDEYVWDVUSG-UHFFFAOYSA-N
XLogP1.48
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.18
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 112670237
2-(4-bromo-2-methylphenyl)-5-iodo-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136886365
2-(3-ethyl-1-methylpyrazol-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136920201
4-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one
CID 136790340
4-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one
CID 136831511
2-(4-bromo-2-methylphenyl)-4-ethyl-5-iodo-1H-pyrimidin-6-one
CID 136980706
3-ethyl-4-(4-methoxyphenyl)-1-methylpyrazole
CID 70834828
2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 112671008
5-(3-ethyl-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole
CID 102811182
3-(3-ethyl-1-methylpyrazol-4-yl)-4-(2-methoxyethyl)-1H-1,2,4-triazole-5-thione
CID 102810800
2-anilino-5-iodo-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136773784
5-iodo-2-[2-(2-methoxyethoxy)ethyl]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136981216

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-4-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-4-(methoxymethyl)-1H-pyrimidin-6-one (CID 136920223) is 2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-4-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-4-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-4-(methoxymethyl)-1H-pyrimidin-6-one is CCc1nn(C)cc1-c1nc(COC)c(I)c(=O)[nH]1.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-4-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is HJMJDEYVWDVUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN4O2/c1-4-8-7(5-17(2)16-8)11-14-9(6-19-3)10(13)12(18)15-11/h5H,4,6H2,1-3H3,(H,14,15,18).
What are the key properties of 2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-4-(methoxymethyl)-1H-pyrimidin-6-one?
2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-4-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 374.18 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-4-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136920223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).