4,6-dichloro-2-(2-ethylpyrazol-3-yl)-5-iodopyrimidine

C9H7Cl2IN4 — CID 114556671

IUPAC4,6-dichloro-2-(2-ethylpyrazol-3-yl)-5-iodopyrimidine
SMILESCCn1nccc1-c1nc(Cl)c(I)c(Cl)n1
InChIInChI=1S/C9H7Cl2IN4/c1-2-16-5(3-4-13-16)9-14-7(10)6(12)8(11)15-9/h3-4H,2H2,1H3
InChIKeyRZUUKBPNMNOAOS-UHFFFAOYSA-N
MW368.99 g/mol
LogP3.27
Rot. Bonds2

About 4,6-dichloro-2-(2-ethylpyrazol-3-yl)-5-iodopyrimidine

4,6-dichloro-2-(2-ethylpyrazol-3-yl)-5-iodopyrimidine (PubChem CID 114556671) has the molecular formula C9H7Cl2IN4 and a molecular weight of 368.99 g/mol. Its IUPAC name is 4,6-dichloro-2-(2-ethylpyrazol-3-yl)-5-iodopyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(2-ethylpyrazol-3-yl)-5-iodopyrimidine
PubChem CID114556671
Molecular FormulaC9H7Cl2IN4
Molecular Weight368.99 g/mol
Exact Mass367.91
IUPAC Name4,6-dichloro-2-(2-ethylpyrazol-3-yl)-5-iodopyrimidine
SMILESCCn1nccc1-c1nc(Cl)c(I)c(Cl)n1
InChIInChI=1S/C9H7Cl2IN4/c1-2-16-5(3-4-13-16)9-14-7(10)6(12)8(11)15-9/h3-4H,2H2,1H3
InChIKeyRZUUKBPNMNOAOS-UHFFFAOYSA-N
XLogP3.27
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.99
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,6-dichloro-2-(2-ethylpyrazol-3-yl)-5-iodopyrimidine 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

4-chloro-2-(2-ethylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 114556653
2-(2-ethylpyrazol-3-yl)-5-iodo-N-methylpyrimidin-4-amine
CID 114557450
2-(2-ethylpyrazol-3-yl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 137005366
6-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine
CID 114557312
5-bromo-4-chloro-2-(2-propylpyrazol-3-yl)pyrimidine
CID 114556697
2-(2-ethylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 114557339
5-bromo-2-(2-ethylpyrazol-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 114557431
2-chloro-5-(2-ethylpyrazol-3-yl)aniline
CID 63977148
[2-(2-ethylpyrazol-3-yl)-6-propylpyrimidin-4-yl]hydrazine
CID 114557509
2-(2-ethylpyrazol-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472921
6-cyclopropyl-N-ethyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine
CID 114557347
5-(2-ethylpyrazol-3-yl)-3-phenyl-1,2,4-oxadiazole
CID 19324384

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(2-ethylpyrazol-3-yl)-5-iodopyrimidine?
The IUPAC name of 4,6-dichloro-2-(2-ethylpyrazol-3-yl)-5-iodopyrimidine (CID 114556671) is 4,6-dichloro-2-(2-ethylpyrazol-3-yl)-5-iodopyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(2-ethylpyrazol-3-yl)-5-iodopyrimidine?
The canonical SMILES for 4,6-dichloro-2-(2-ethylpyrazol-3-yl)-5-iodopyrimidine is CCn1nccc1-c1nc(Cl)c(I)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(2-ethylpyrazol-3-yl)-5-iodopyrimidine?
The InChIKey is RZUUKBPNMNOAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2IN4/c1-2-16-5(3-4-13-16)9-14-7(10)6(12)8(11)15-9/h3-4H,2H2,1H3.
What are the key properties of 4,6-dichloro-2-(2-ethylpyrazol-3-yl)-5-iodopyrimidine?
4,6-dichloro-2-(2-ethylpyrazol-3-yl)-5-iodopyrimidine has a molecular weight of 368.99 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(2-ethylpyrazol-3-yl)-5-iodopyrimidine is sourced from PubChem (CID 114556671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).