6-(4-chloro-5-iodo-6-propan-2-ylpyrimidin-2-yl)quinoxaline

C15H12ClIN4 — CID 66293428

IUPAC6-(4-chloro-5-iodo-6-propan-2-ylpyrimidin-2-yl)quinoxaline
SMILESCC(C)c1nc(-c2ccc3nccnc3c2)nc(Cl)c1I
InChIInChI=1S/C15H12ClIN4/c1-8(2)13-12(17)14(16)21-15(20-13)9-3-4-10-11(7-9)19-6-5-18-10/h3-8H,1-2H3
InChIKeyOOKIUFHGCZRHHY-UHFFFAOYSA-N
MW410.65 g/mol
LogP4.47
Rot. Bonds2

About 6-(4-chloro-5-iodo-6-propan-2-ylpyrimidin-2-yl)quinoxaline

6-(4-chloro-5-iodo-6-propan-2-ylpyrimidin-2-yl)quinoxaline (PubChem CID 66293428) has the molecular formula C15H12ClIN4 and a molecular weight of 410.65 g/mol. Its IUPAC name is 6-(4-chloro-5-iodo-6-propan-2-ylpyrimidin-2-yl)quinoxaline.

Molecular Properties

Compound Name6-(4-chloro-5-iodo-6-propan-2-ylpyrimidin-2-yl)quinoxaline
PubChem CID66293428
Molecular FormulaC15H12ClIN4
Molecular Weight410.65 g/mol
Exact Mass409.98
IUPAC Name6-(4-chloro-5-iodo-6-propan-2-ylpyrimidin-2-yl)quinoxaline
SMILESCC(C)c1nc(-c2ccc3nccnc3c2)nc(Cl)c1I
InChIInChI=1S/C15H12ClIN4/c1-8(2)13-12(17)14(16)21-15(20-13)9-3-4-10-11(7-9)19-6-5-18-10/h3-8H,1-2H3
InChIKeyOOKIUFHGCZRHHY-UHFFFAOYSA-N
XLogP4.47
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.65
LogP ≤ 54.47
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-(3,4-dimethoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine
CID 66292818
4-chloro-2-(3-ethoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine
CID 66292609
5-iodo-6-propan-2-yl-2-quinolin-6-ylpyrimidin-4-amine
CID 66300911
4-chloro-2-(2-chlorophenyl)-5-iodo-6-propan-2-ylpyrimidine
CID 66292208
4-chloro-2-(7-chloro-1,3-benzodioxol-5-yl)-5-iodo-6-propan-2-ylpyrimidine
CID 66312270
4-chloro-2-(4-chloro-2-methoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine
CID 106819152
(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine
CID 114361436
4-chloro-5-iodo-2-naphthalen-1-yl-6-propan-2-ylpyrimidine
CID 66292009
4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-iodopyrimidine
CID 106818017
4-methylsulfanyl-6-quinoxalin-6-yl-1,3,5-triazin-2-amine
CID 83084099
4-chloro-2-(2-chloro-6-methoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine
CID 104816917
(1S)-2-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104901617

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-5-iodo-6-propan-2-ylpyrimidin-2-yl)quinoxaline?
The IUPAC name of 6-(4-chloro-5-iodo-6-propan-2-ylpyrimidin-2-yl)quinoxaline (CID 66293428) is 6-(4-chloro-5-iodo-6-propan-2-ylpyrimidin-2-yl)quinoxaline.
What is the SMILES notation for 6-(4-chloro-5-iodo-6-propan-2-ylpyrimidin-2-yl)quinoxaline?
The canonical SMILES for 6-(4-chloro-5-iodo-6-propan-2-ylpyrimidin-2-yl)quinoxaline is CC(C)c1nc(-c2ccc3nccnc3c2)nc(Cl)c1I.
What is the InChIKey of 6-(4-chloro-5-iodo-6-propan-2-ylpyrimidin-2-yl)quinoxaline?
The InChIKey is OOKIUFHGCZRHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClIN4/c1-8(2)13-12(17)14(16)21-15(20-13)9-3-4-10-11(7-9)19-6-5-18-10/h3-8H,1-2H3.
What are the key properties of 6-(4-chloro-5-iodo-6-propan-2-ylpyrimidin-2-yl)quinoxaline?
6-(4-chloro-5-iodo-6-propan-2-ylpyrimidin-2-yl)quinoxaline has a molecular weight of 410.65 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-5-iodo-6-propan-2-ylpyrimidin-2-yl)quinoxaline is sourced from PubChem (CID 66293428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).