2-(4-bromothiophen-2-yl)-4-chloro-5-iodo-6-methylpyrimidine

C9H5BrClIN2S — CID 66294167

IUPAC2-(4-bromothiophen-2-yl)-4-chloro-5-iodo-6-methylpyrimidine
SMILESCc1nc(-c2cc(Br)cs2)nc(Cl)c1I
InChIInChI=1S/C9H5BrClIN2S/c1-4-7(12)8(11)14-9(13-4)6-2-5(10)3-15-6/h2-3H,1H3
InChIKeyGRKOTWCUQUHYPP-UHFFFAOYSA-N
MW415.48 g/mol
LogP4.53
Rot. Bonds1

About 2-(4-bromothiophen-2-yl)-4-chloro-5-iodo-6-methylpyrimidine

2-(4-bromothiophen-2-yl)-4-chloro-5-iodo-6-methylpyrimidine (PubChem CID 66294167) has the molecular formula C9H5BrClIN2S and a molecular weight of 415.48 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-4-chloro-5-iodo-6-methylpyrimidine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-4-chloro-5-iodo-6-methylpyrimidine
PubChem CID66294167
Molecular FormulaC9H5BrClIN2S
Molecular Weight415.48 g/mol
Exact Mass413.81
IUPAC Name2-(4-bromothiophen-2-yl)-4-chloro-5-iodo-6-methylpyrimidine
SMILESCc1nc(-c2cc(Br)cs2)nc(Cl)c1I
InChIInChI=1S/C9H5BrClIN2S/c1-4-7(12)8(11)14-9(13-4)6-2-5(10)3-15-6/h2-3H,1H3
InChIKeyGRKOTWCUQUHYPP-UHFFFAOYSA-N
XLogP4.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 54.53
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

2-(4-bromothiophen-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66306503
2-(4-bromothiophen-2-yl)-4,6-dichloro-5-propylpyrimidine
CID 63613660
2-(4-bromothiophen-2-yl)-4,6-dichloro-5-(4-fluorophenyl)pyrimidine
CID 79431886
2-(4-bromothiophen-2-yl)-5-chloro-4-methyl-1,3-thiazole
CID 116888006
2-(4-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737697
2-(2-bromo-5-chlorophenyl)-4-chloro-5-iodo-6-methylpyrimidine
CID 66312236
2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine
CID 66312627
4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-methylpyrimidine
CID 66313212
5-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-4,6-dichloropyrimidine
CID 79434225
5-bromo-2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine
CID 66294342
4-chloro-2-(3,4-dichlorophenyl)-5-iodo-6-methylpyrimidine
CID 66312430
2-(4-bromothiophen-2-yl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 63481025

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-4-chloro-5-iodo-6-methylpyrimidine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-4-chloro-5-iodo-6-methylpyrimidine (CID 66294167) is 2-(4-bromothiophen-2-yl)-4-chloro-5-iodo-6-methylpyrimidine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-4-chloro-5-iodo-6-methylpyrimidine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-4-chloro-5-iodo-6-methylpyrimidine is Cc1nc(-c2cc(Br)cs2)nc(Cl)c1I.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-4-chloro-5-iodo-6-methylpyrimidine?
The InChIKey is GRKOTWCUQUHYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClIN2S/c1-4-7(12)8(11)14-9(13-4)6-2-5(10)3-15-6/h2-3H,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-4-chloro-5-iodo-6-methylpyrimidine?
2-(4-bromothiophen-2-yl)-4-chloro-5-iodo-6-methylpyrimidine has a molecular weight of 415.48 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-4-chloro-5-iodo-6-methylpyrimidine is sourced from PubChem (CID 66294167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).