4-tert-butyl-6-chloro-2-(3-fluorophenyl)-5-iodopyrimidine

C14H13ClFIN2 — CID 66294824

IUPAC4-tert-butyl-6-chloro-2-(3-fluorophenyl)-5-iodopyrimidine
SMILESCC(C)(C)c1nc(-c2cccc(F)c2)nc(Cl)c1I
InChIInChI=1S/C14H13ClFIN2/c1-14(2,3)11-10(17)12(15)19-13(18-11)8-5-4-6-9(16)7-8/h4-7H,1-3H3
InChIKeyGDCMDLFQNFQLJE-UHFFFAOYSA-N
MW390.63 g/mol
LogP4.84
Rot. Bonds1

About 4-tert-butyl-6-chloro-2-(3-fluorophenyl)-5-iodopyrimidine

4-tert-butyl-6-chloro-2-(3-fluorophenyl)-5-iodopyrimidine (PubChem CID 66294824) has the molecular formula C14H13ClFIN2 and a molecular weight of 390.63 g/mol. Its IUPAC name is 4-tert-butyl-6-chloro-2-(3-fluorophenyl)-5-iodopyrimidine.

Molecular Properties

Compound Name4-tert-butyl-6-chloro-2-(3-fluorophenyl)-5-iodopyrimidine
PubChem CID66294824
Molecular FormulaC14H13ClFIN2
Molecular Weight390.63 g/mol
Exact Mass389.98
IUPAC Name4-tert-butyl-6-chloro-2-(3-fluorophenyl)-5-iodopyrimidine
SMILESCC(C)(C)c1nc(-c2cccc(F)c2)nc(Cl)c1I
InChIInChI=1S/C14H13ClFIN2/c1-14(2,3)11-10(17)12(15)19-13(18-11)8-5-4-6-9(16)7-8/h4-7H,1-3H3
InChIKeyGDCMDLFQNFQLJE-UHFFFAOYSA-N
XLogP4.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.63
LogP ≤ 54.84
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

2-Amino-4-chloro-6-phenylpyrimidine
CID 240802
4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
4-Chloro-2,6-diphenylpyrimidine
CID 582041
2,4-Dichloro-6-phenylpyrimidine
CID 241554
4-Chloro-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 614101
4,5-Dichloro-6-methyl-2-phenylpyrimidine
CID 3309923
4-(4-Chloro-3-(trifluoromethyl)phenyl)-6-propylpyrimidine-2-carbonitrile
CID 46882096
4-(3-Chlorophenyl)-6-propylpyrimidine-2-carbonitrile
CID 49862308
4-(2-Chloro-5-(trifluoromethyl)phenyl)-6-propylpyrimidine-2-carbonitrile
CID 49862422
4-(2-Chloro-3-(trifluoromethyl)phenyl)-6-propylpyrimidine-2-carbonitrile
CID 46882097
2,4,5-Trichloro-6-phenylpyrimidine
CID 243422
4-Chloro-5-methyl-6-phenylpyrimidin-2-amine
CID 13377422

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-chloro-2-(3-fluorophenyl)-5-iodopyrimidine?
The IUPAC name of 4-tert-butyl-6-chloro-2-(3-fluorophenyl)-5-iodopyrimidine (CID 66294824) is 4-tert-butyl-6-chloro-2-(3-fluorophenyl)-5-iodopyrimidine.
What is the SMILES notation for 4-tert-butyl-6-chloro-2-(3-fluorophenyl)-5-iodopyrimidine?
The canonical SMILES for 4-tert-butyl-6-chloro-2-(3-fluorophenyl)-5-iodopyrimidine is CC(C)(C)c1nc(-c2cccc(F)c2)nc(Cl)c1I.
What is the InChIKey of 4-tert-butyl-6-chloro-2-(3-fluorophenyl)-5-iodopyrimidine?
The InChIKey is GDCMDLFQNFQLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFIN2/c1-14(2,3)11-10(17)12(15)19-13(18-11)8-5-4-6-9(16)7-8/h4-7H,1-3H3.
What are the key properties of 4-tert-butyl-6-chloro-2-(3-fluorophenyl)-5-iodopyrimidine?
4-tert-butyl-6-chloro-2-(3-fluorophenyl)-5-iodopyrimidine has a molecular weight of 390.63 g/mol, XLogP of 4.84, 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-(3-fluorophenyl)-5-iodopyrimidine is sourced from PubChem (CID 66294824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).