4-chloro-5-iodo-6-phenyl-2-thiophen-2-ylpyrimidine

C14H8ClIN2S — CID 66293940

IUPAC4-chloro-5-iodo-6-phenyl-2-thiophen-2-ylpyrimidine
SMILESClc1nc(-c2cccs2)nc(-c2ccccc2)c1I
InChIInChI=1S/C14H8ClIN2S/c15-13-11(16)12(9-5-2-1-3-6-9)17-14(18-13)10-7-4-8-19-10/h1-8H
InChIKeyLRJQVOGOOCOJOW-UHFFFAOYSA-N
MW398.66 g/mol
LogP5.13
Rot. Bonds2

About 4-chloro-5-iodo-6-phenyl-2-thiophen-2-ylpyrimidine

4-chloro-5-iodo-6-phenyl-2-thiophen-2-ylpyrimidine (PubChem CID 66293940) has the molecular formula C14H8ClIN2S and a molecular weight of 398.66 g/mol. Its IUPAC name is 4-chloro-5-iodo-6-phenyl-2-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-6-phenyl-2-thiophen-2-ylpyrimidine
PubChem CID66293940
Molecular FormulaC14H8ClIN2S
Molecular Weight398.66 g/mol
Exact Mass397.91
IUPAC Name4-chloro-5-iodo-6-phenyl-2-thiophen-2-ylpyrimidine
SMILESClc1nc(-c2cccs2)nc(-c2ccccc2)c1I
InChIInChI=1S/C14H8ClIN2S/c15-13-11(16)12(9-5-2-1-3-6-9)17-14(18-13)10-7-4-8-19-10/h1-8H
InChIKeyLRJQVOGOOCOJOW-UHFFFAOYSA-N
XLogP5.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.66
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-phenylpyrimidine
CID 66313590
4-chloro-5-iodo-6-phenyl-2-pyridin-3-ylpyrimidine
CID 66294143
2-(2-bromophenyl)-4-chloro-5-iodo-6-phenylpyrimidine
CID 66292715
4-chloro-5-iodo-6-(methoxymethyl)-2-thiophen-2-ylpyrimidine
CID 66294484
4,6-dichloro-5-ethyl-2-thiophen-2-ylpyrimidine
CID 63613318
2-(5-chlorothiophen-2-yl)-5-iodo-6-phenylpyrimidin-4-amine
CID 66302604
4-chloro-2-thiophen-2-ylbenzo[g]quinazoline
CID 114589464
4,6-dichloro-2-thiophen-2-ylquinazoline
CID 55180550
4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-phenylpyrimidine
CID 103570147
2-(4-chlorothiophen-2-yl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine
CID 79422021
5-bromo-2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine
CID 66294342
ethyl 4-methyl-6-phenyl-2-thiophen-2-ylpyrimidine-5-carboxylate
CID 132554839

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-iodo-6-phenyl-2-thiophen-2-ylpyrimidine?
The IUPAC name of 4-chloro-5-iodo-6-phenyl-2-thiophen-2-ylpyrimidine (CID 66293940) is 4-chloro-5-iodo-6-phenyl-2-thiophen-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-6-phenyl-2-thiophen-2-ylpyrimidine?
The canonical SMILES for 4-chloro-5-iodo-6-phenyl-2-thiophen-2-ylpyrimidine is Clc1nc(-c2cccs2)nc(-c2ccccc2)c1I.
What is the InChIKey of 4-chloro-5-iodo-6-phenyl-2-thiophen-2-ylpyrimidine?
The InChIKey is LRJQVOGOOCOJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClIN2S/c15-13-11(16)12(9-5-2-1-3-6-9)17-14(18-13)10-7-4-8-19-10/h1-8H.
What are the key properties of 4-chloro-5-iodo-6-phenyl-2-thiophen-2-ylpyrimidine?
4-chloro-5-iodo-6-phenyl-2-thiophen-2-ylpyrimidine has a molecular weight of 398.66 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-6-phenyl-2-thiophen-2-ylpyrimidine is sourced from PubChem (CID 66293940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).