2-(2-ethylpyrazol-3-yl)-5-iodo-4-methyl-1H-pyrimidin-6-one

C10H11IN4O — CID 137005366

IUPAC2-(2-ethylpyrazol-3-yl)-5-iodo-4-methyl-1H-pyrimidin-6-one
SMILESCCn1nccc1-c1nc(C)c(I)c(=O)[nH]1
InChIInChI=1S/C10H11IN4O/c1-3-15-7(4-5-12-15)9-13-6(2)8(11)10(16)14-9/h4-5H,3H2,1-2H3,(H,13,14,16)
InChIKeyJMBAQVRWKHCSNB-UHFFFAOYSA-N
MW330.13 g/mol
LogP1.57
Rot. Bonds2

About 2-(2-ethylpyrazol-3-yl)-5-iodo-4-methyl-1H-pyrimidin-6-one

2-(2-ethylpyrazol-3-yl)-5-iodo-4-methyl-1H-pyrimidin-6-one (PubChem CID 137005366) has the molecular formula C10H11IN4O and a molecular weight of 330.13 g/mol. Its IUPAC name is 2-(2-ethylpyrazol-3-yl)-5-iodo-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-ethylpyrazol-3-yl)-5-iodo-4-methyl-1H-pyrimidin-6-one
PubChem CID137005366
Molecular FormulaC10H11IN4O
Molecular Weight330.13 g/mol
Exact Mass330.00
IUPAC Name2-(2-ethylpyrazol-3-yl)-5-iodo-4-methyl-1H-pyrimidin-6-one
SMILESCCn1nccc1-c1nc(C)c(I)c(=O)[nH]1
InChIInChI=1S/C10H11IN4O/c1-3-15-7(4-5-12-15)9-13-6(2)8(11)10(16)14-9/h4-5H,3H2,1-2H3,(H,13,14,16)
InChIKeyJMBAQVRWKHCSNB-UHFFFAOYSA-N
XLogP1.57
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-ethylpyrazol-3-yl)-5-iodo-4-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethylpyrazol-3-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 114556573
2-(2-ethylpyrazol-3-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137015390
5-bromo-2-(2-ethylpyrazol-3-yl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 137005380
5-(2-hydroxyethyl)-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005359
5-fluoro-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005312
4,6-dichloro-2-(2-ethylpyrazol-3-yl)-5-iodopyrimidine
CID 114556671
5-(2-hydroxyethyl)-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005311
4-cyclopropyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005324
5-iodo-4-methyl-2-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one
CID 136984656
4-cyclopentyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005328
[2-(2-ethylpyrazol-3-yl)-1H-imidazol-5-yl]methanol
CID 137005410
2-(2-ethylpyrazol-3-yl)-5-iodo-N-methylpyrimidin-4-amine
CID 114557450

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrazol-3-yl)-5-iodo-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-ethylpyrazol-3-yl)-5-iodo-4-methyl-1H-pyrimidin-6-one (CID 137005366) is 2-(2-ethylpyrazol-3-yl)-5-iodo-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-ethylpyrazol-3-yl)-5-iodo-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-ethylpyrazol-3-yl)-5-iodo-4-methyl-1H-pyrimidin-6-one is CCn1nccc1-c1nc(C)c(I)c(=O)[nH]1.
What is the InChIKey of 2-(2-ethylpyrazol-3-yl)-5-iodo-4-methyl-1H-pyrimidin-6-one?
The InChIKey is JMBAQVRWKHCSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN4O/c1-3-15-7(4-5-12-15)9-13-6(2)8(11)10(16)14-9/h4-5H,3H2,1-2H3,(H,13,14,16).
What are the key properties of 2-(2-ethylpyrazol-3-yl)-5-iodo-4-methyl-1H-pyrimidin-6-one?
2-(2-ethylpyrazol-3-yl)-5-iodo-4-methyl-1H-pyrimidin-6-one has a molecular weight of 330.13 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrazol-3-yl)-5-iodo-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137005366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).