4,6-dichloro-5-iodo-2-(2-methyl-5-nitrophenyl)pyrimidine

C11H6Cl2IN3O2 — CID 66314762

IUPAC4,6-dichloro-5-iodo-2-(2-methyl-5-nitrophenyl)pyrimidine
SMILESCc1ccc([N+](=O)[O-])cc1-c1nc(Cl)c(I)c(Cl)n1
InChIInChI=1S/C11H6Cl2IN3O2/c1-5-2-3-6(17(18)19)4-7(5)11-15-9(12)8(14)10(13)16-11/h2-4H,1H3
InChIKeyXECNYYPRIIFLGU-UHFFFAOYSA-N
MW410.00 g/mol
LogP4.27
Rot. Bonds2

About 4,6-dichloro-5-iodo-2-(2-methyl-5-nitrophenyl)pyrimidine

4,6-dichloro-5-iodo-2-(2-methyl-5-nitrophenyl)pyrimidine (PubChem CID 66314762) has the molecular formula C11H6Cl2IN3O2 and a molecular weight of 410.00 g/mol. Its IUPAC name is 4,6-dichloro-5-iodo-2-(2-methyl-5-nitrophenyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-iodo-2-(2-methyl-5-nitrophenyl)pyrimidine
PubChem CID66314762
Molecular FormulaC11H6Cl2IN3O2
Molecular Weight410.00 g/mol
Exact Mass408.89
IUPAC Name4,6-dichloro-5-iodo-2-(2-methyl-5-nitrophenyl)pyrimidine
SMILESCc1ccc([N+](=O)[O-])cc1-c1nc(Cl)c(I)c(Cl)n1
InChIInChI=1S/C11H6Cl2IN3O2/c1-5-2-3-6(17(18)19)4-7(5)11-15-9(12)8(14)10(13)16-11/h2-4H,1H3
InChIKeyXECNYYPRIIFLGU-UHFFFAOYSA-N
XLogP4.27
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.00
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazol-5-amine
CID 62469803
4-chloro-6-(methoxymethyl)-2-(2-methyl-5-nitrophenyl)pyrimidine
CID 62319606
2-chloro-6-(2-methyl-5-nitrophenyl)pyrazine
CID 168929606
3-chloro-5-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazole
CID 112571859
2-iodo-5-(2-methyl-5-nitrophenyl)-1,3,4-thiadiazole
CID 63383926
5-(1-chloroethyl)-4-methyl-2-(2-methyl-5-nitrophenyl)pyrimidine
CID 62771216
5-(2-chloroethyl)-3-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazole
CID 62099503
[2-(2-methyl-5-nitrophenyl)pyrimidin-4-yl]hydrazine
CID 62250526
(1S)-1-[4-methyl-2-(2-methyl-5-nitrophenyl)pyrimidin-5-yl]ethanamine
CID 103431949
5-bromo-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine
CID 66304278
N-methyl-2-(2-methyl-5-nitrophenyl)-6-propylpyrimidin-4-amine
CID 62190372
N-ethyl-5-fluoro-6-methyl-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine
CID 66000791

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-iodo-2-(2-methyl-5-nitrophenyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-iodo-2-(2-methyl-5-nitrophenyl)pyrimidine (CID 66314762) is 4,6-dichloro-5-iodo-2-(2-methyl-5-nitrophenyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-iodo-2-(2-methyl-5-nitrophenyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-iodo-2-(2-methyl-5-nitrophenyl)pyrimidine is Cc1ccc([N+](=O)[O-])cc1-c1nc(Cl)c(I)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-iodo-2-(2-methyl-5-nitrophenyl)pyrimidine?
The InChIKey is XECNYYPRIIFLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2IN3O2/c1-5-2-3-6(17(18)19)4-7(5)11-15-9(12)8(14)10(13)16-11/h2-4H,1H3.
What are the key properties of 4,6-dichloro-5-iodo-2-(2-methyl-5-nitrophenyl)pyrimidine?
4,6-dichloro-5-iodo-2-(2-methyl-5-nitrophenyl)pyrimidine has a molecular weight of 410.00 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-iodo-2-(2-methyl-5-nitrophenyl)pyrimidine is sourced from PubChem (CID 66314762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).