2-(2,4-dichlorophenyl)-4-(iodomethyl)-5,6-dimethylpyrimidine

C13H11Cl2IN2 — CID 89358004

IUPAC2-(2,4-dichlorophenyl)-4-(iodomethyl)-5,6-dimethylpyrimidine
SMILESCc1nc(-c2ccc(Cl)cc2Cl)nc(CI)c1C
InChIInChI=1S/C13H11Cl2IN2/c1-7-8(2)17-13(18-12(7)6-16)10-4-3-9(14)5-11(10)15/h3-5H,6H2,1-2H3
InChIKeyHJPJPQQGSDJKFH-UHFFFAOYSA-N
MW393.06 g/mol
LogP5.00
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-4-(iodomethyl)-5,6-dimethylpyrimidine

2-(2,4-dichlorophenyl)-4-(iodomethyl)-5,6-dimethylpyrimidine (PubChem CID 89358004) has the molecular formula C13H11Cl2IN2 and a molecular weight of 393.06 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-4-(iodomethyl)-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-4-(iodomethyl)-5,6-dimethylpyrimidine
PubChem CID89358004
Molecular FormulaC13H11Cl2IN2
Molecular Weight393.06 g/mol
Exact Mass391.93
IUPAC Name2-(2,4-dichlorophenyl)-4-(iodomethyl)-5,6-dimethylpyrimidine
SMILESCc1nc(-c2ccc(Cl)cc2Cl)nc(CI)c1C
InChIInChI=1S/C13H11Cl2IN2/c1-7-8(2)17-13(18-12(7)6-16)10-4-3-9(14)5-11(10)15/h3-5H,6H2,1-2H3
InChIKeyHJPJPQQGSDJKFH-UHFFFAOYSA-N
XLogP5.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.06
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dichlorophenyl)-5-ethyl-6-(4-methylphenyl)-1,2,4-triazine
CID 6405156
2-(2,4-dichlorophenyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66297973
4,6-dichloro-2-(2,4-dichlorophenyl)-5-propan-2-ylpyrimidine
CID 63612507
2-(2,4-dichlorophenyl)-6-ethylpyrimidin-4-amine
CID 62203520
6-(2,4-dichlorophenyl)-4-methyl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 76847484
7-bromo-4-chloro-2-(2,4-dichlorophenyl)-8-methylquinazoline
CID 114591566
4-tert-butyl-6-chloro-2-(2,4-dichlorophenyl)-5-iodopyrimidine
CID 66314197
3-(2,4-dichlorophenyl)-5-ethyl-1H-1,2,4-triazole
CID 61278120
5-(2,4-dichlorophenyl)-3-ethyl-6-methylpyrazin-2-amine
CID 142247147
2-(2,4-dichlorophenyl)-1,4,5-trimethylimidazole
CID 102416631
2-(2,4-dichlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 62319145
2-chloro-5-(2,4-dichlorophenyl)-6-methoxy-3-methylpyrazine
CID 46177844

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-4-(iodomethyl)-5,6-dimethylpyrimidine?
The IUPAC name of 2-(2,4-dichlorophenyl)-4-(iodomethyl)-5,6-dimethylpyrimidine (CID 89358004) is 2-(2,4-dichlorophenyl)-4-(iodomethyl)-5,6-dimethylpyrimidine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-4-(iodomethyl)-5,6-dimethylpyrimidine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-4-(iodomethyl)-5,6-dimethylpyrimidine is Cc1nc(-c2ccc(Cl)cc2Cl)nc(CI)c1C.
What is the InChIKey of 2-(2,4-dichlorophenyl)-4-(iodomethyl)-5,6-dimethylpyrimidine?
The InChIKey is HJPJPQQGSDJKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2IN2/c1-7-8(2)17-13(18-12(7)6-16)10-4-3-9(14)5-11(10)15/h3-5H,6H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-4-(iodomethyl)-5,6-dimethylpyrimidine?
2-(2,4-dichlorophenyl)-4-(iodomethyl)-5,6-dimethylpyrimidine has a molecular weight of 393.06 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-4-(iodomethyl)-5,6-dimethylpyrimidine is sourced from PubChem (CID 89358004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).