4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-phenylpyrimidine

C15H12ClIN4 — CID 103570147

IUPAC4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-phenylpyrimidine
SMILESCCn1cc(-c2nc(Cl)c(I)c(-c3ccccc3)n2)cn1
InChIInChI=1S/C15H12ClIN4/c1-2-21-9-11(8-18-21)15-19-13(12(17)14(16)20-15)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyUVLCHTBJCRQJKT-UHFFFAOYSA-N
MW410.65 g/mol
LogP4.28
Rot. Bonds3

About 4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-phenylpyrimidine

4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-phenylpyrimidine (PubChem CID 103570147) has the molecular formula C15H12ClIN4 and a molecular weight of 410.65 g/mol. Its IUPAC name is 4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-phenylpyrimidine
PubChem CID103570147
Molecular FormulaC15H12ClIN4
Molecular Weight410.65 g/mol
Exact Mass409.98
IUPAC Name4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-phenylpyrimidine
SMILESCCn1cc(-c2nc(Cl)c(I)c(-c3ccccc3)n2)cn1
InChIInChI=1S/C15H12ClIN4/c1-2-21-9-11(8-18-21)15-19-13(12(17)14(16)20-15)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyUVLCHTBJCRQJKT-UHFFFAOYSA-N
XLogP4.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.65
LogP ≤ 54.28
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-2-(1-ethylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 103570156
4-chloro-5-iodo-6-phenyl-2-pyridin-3-ylpyrimidine
CID 66294143
5-bromo-4-chloro-2-(1-ethylpyrazol-4-yl)-6-methylpyrimidine
CID 103570148
2-(2-bromophenyl)-4-chloro-5-iodo-6-phenylpyrimidine
CID 66292715
4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-phenylpyrimidine
CID 66313590
5-iodo-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidin-4-amine
CID 66294304
5-(1-ethylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole
CID 19324429
4-chloro-6-(chloromethyl)-2-(1-ethylpyrazol-4-yl)pyrimidine
CID 95732740
4-chloro-5-iodo-6-phenyl-2-thiophen-2-ylpyrimidine
CID 66293940
2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine
CID 103570532
2-(tert-butylsulfanylmethyl)-4-chloro-5-iodo-6-phenylpyrimidine
CID 66292305
5-bromo-4-chloro-6-cyclopentyl-2-(1-ethylpyrazol-4-yl)pyrimidine
CID 103570166

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-phenylpyrimidine?
The IUPAC name of 4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-phenylpyrimidine (CID 103570147) is 4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-phenylpyrimidine.
What is the SMILES notation for 4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-phenylpyrimidine?
The canonical SMILES for 4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-phenylpyrimidine is CCn1cc(-c2nc(Cl)c(I)c(-c3ccccc3)n2)cn1.
What is the InChIKey of 4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-phenylpyrimidine?
The InChIKey is UVLCHTBJCRQJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClIN4/c1-2-21-9-11(8-18-21)15-19-13(12(17)14(16)20-15)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of 4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-phenylpyrimidine?
4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-phenylpyrimidine has a molecular weight of 410.65 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-phenylpyrimidine is sourced from PubChem (CID 103570147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).