4-tert-butyl-6-chloro-2-(2,4-dichlorophenyl)-5-iodopyrimidine

C14H12Cl3IN2 — CID 66314197

IUPAC4-tert-butyl-6-chloro-2-(2,4-dichlorophenyl)-5-iodopyrimidine
SMILESCC(C)(C)c1nc(-c2ccc(Cl)cc2Cl)nc(Cl)c1I
InChIInChI=1S/C14H12Cl3IN2/c1-14(2,3)11-10(18)12(17)20-13(19-11)8-5-4-7(15)6-9(8)16/h4-6H,1-3H3
InChIKeyZVTUAYKNVXTTDN-UHFFFAOYSA-N
MW441.53 g/mol
LogP6.01
Rot. Bonds1

About 4-tert-butyl-6-chloro-2-(2,4-dichlorophenyl)-5-iodopyrimidine

4-tert-butyl-6-chloro-2-(2,4-dichlorophenyl)-5-iodopyrimidine (PubChem CID 66314197) has the molecular formula C14H12Cl3IN2 and a molecular weight of 441.53 g/mol. Its IUPAC name is 4-tert-butyl-6-chloro-2-(2,4-dichlorophenyl)-5-iodopyrimidine.

Molecular Properties

Compound Name4-tert-butyl-6-chloro-2-(2,4-dichlorophenyl)-5-iodopyrimidine
PubChem CID66314197
Molecular FormulaC14H12Cl3IN2
Molecular Weight441.53 g/mol
Exact Mass439.91
IUPAC Name4-tert-butyl-6-chloro-2-(2,4-dichlorophenyl)-5-iodopyrimidine
SMILESCC(C)(C)c1nc(-c2ccc(Cl)cc2Cl)nc(Cl)c1I
InChIInChI=1S/C14H12Cl3IN2/c1-14(2,3)11-10(18)12(17)20-13(19-11)8-5-4-7(15)6-9(8)16/h4-6H,1-3H3
InChIKeyZVTUAYKNVXTTDN-UHFFFAOYSA-N
XLogP6.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,6-dichloro-2-(2,4-dichlorophenyl)-5-propan-2-ylpyrimidine
CID 63612507
4-tert-butyl-6-chloro-5-iodo-2-pyrimidin-2-ylpyrimidine
CID 66294823
4-tert-butyl-6-chloro-2-(3-fluorophenyl)-5-iodopyrimidine
CID 66294824
4-tert-butyl-6-chloro-5-iodo-2-thiophen-3-ylpyrimidine
CID 66294614
5-bromo-4-tert-butyl-6-chloro-2-(2-chlorophenyl)pyrimidine
CID 66292356
6-tert-butyl-2-(4-chlorophenyl)-5-iodopyrimidin-4-amine
CID 66307224
6-tert-butyl-2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine
CID 66295197
2-(2-bromo-5-chlorophenyl)-4-chloro-5-iodo-6-methylpyrimidine
CID 66312236
5-bromo-6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 66306206
7-bromo-4-chloro-2-(2,4-dichlorophenyl)-8-methylquinazoline
CID 114591566
2-(2,4-dichlorophenyl)-4-(iodomethyl)-5,6-dimethylpyrimidine
CID 89358004
2-(2,4-dichlorophenyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66297973

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-chloro-2-(2,4-dichlorophenyl)-5-iodopyrimidine?
The IUPAC name of 4-tert-butyl-6-chloro-2-(2,4-dichlorophenyl)-5-iodopyrimidine (CID 66314197) is 4-tert-butyl-6-chloro-2-(2,4-dichlorophenyl)-5-iodopyrimidine.
What is the SMILES notation for 4-tert-butyl-6-chloro-2-(2,4-dichlorophenyl)-5-iodopyrimidine?
The canonical SMILES for 4-tert-butyl-6-chloro-2-(2,4-dichlorophenyl)-5-iodopyrimidine is CC(C)(C)c1nc(-c2ccc(Cl)cc2Cl)nc(Cl)c1I.
What is the InChIKey of 4-tert-butyl-6-chloro-2-(2,4-dichlorophenyl)-5-iodopyrimidine?
The InChIKey is ZVTUAYKNVXTTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3IN2/c1-14(2,3)11-10(18)12(17)20-13(19-11)8-5-4-7(15)6-9(8)16/h4-6H,1-3H3.
What are the key properties of 4-tert-butyl-6-chloro-2-(2,4-dichlorophenyl)-5-iodopyrimidine?
4-tert-butyl-6-chloro-2-(2,4-dichlorophenyl)-5-iodopyrimidine has a molecular weight of 441.53 g/mol, XLogP of 6.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-chloro-2-(2,4-dichlorophenyl)-5-iodopyrimidine is sourced from PubChem (CID 66314197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).