2-(2-bromo-3,4-difluorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine

C14H11BrClF2IN2 — CID 107537899

IUPAC2-(2-bromo-3,4-difluorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1nc(-c2ccc(F)c(F)c2Br)nc(Cl)c1I
InChIInChI=1S/C14H11BrClF2IN2/c1-6(2)5-9-12(19)13(16)21-14(20-9)7-3-4-8(17)11(18)10(7)15/h3-4,6H,5H2,1-2H3
InChIKeyUMFJWWUGBUFVQC-UHFFFAOYSA-N
MW487.51 g/mol
LogP5.64
Rot. Bonds3

About 2-(2-bromo-3,4-difluorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine

2-(2-bromo-3,4-difluorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine (PubChem CID 107537899) has the molecular formula C14H11BrClF2IN2 and a molecular weight of 487.51 g/mol. Its IUPAC name is 2-(2-bromo-3,4-difluorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name2-(2-bromo-3,4-difluorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
PubChem CID107537899
Molecular FormulaC14H11BrClF2IN2
Molecular Weight487.51 g/mol
Exact Mass485.88
IUPAC Name2-(2-bromo-3,4-difluorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1nc(-c2ccc(F)c(F)c2Br)nc(Cl)c1I
InChIInChI=1S/C14H11BrClF2IN2/c1-6(2)5-9-12(19)13(16)21-14(20-9)7-3-4-8(17)11(18)10(7)15/h3-4,6H,5H2,1-2H3
InChIKeyUMFJWWUGBUFVQC-UHFFFAOYSA-N
XLogP5.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.51
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromothiophen-2-yl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
CID 113298184
2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
CID 115565778
2-(2-bromo-3,4-difluorophenyl)-6-ethyl-5-iodopyrimidin-4-amine
CID 107539759
2-(2-bromo-3,4-difluorophenyl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 107539760
5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine
CID 82809633
4-chloro-2-(4,5-dibromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidine
CID 102842723
4,6-dibromo-2-(2-bromo-3,4-difluorophenyl)pyrimidine
CID 107537902
2-(2-bromo-3,4-difluorophenyl)-4-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 107532954
2-(2-bromo-3,4-difluorophenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 107537468
2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 107924043
4-[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107537285
4-[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutanenitrile
CID 107541448

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3,4-difluorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine?
The IUPAC name of 2-(2-bromo-3,4-difluorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine (CID 107537899) is 2-(2-bromo-3,4-difluorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 2-(2-bromo-3,4-difluorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine?
The canonical SMILES for 2-(2-bromo-3,4-difluorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine is CC(C)Cc1nc(-c2ccc(F)c(F)c2Br)nc(Cl)c1I.
What is the InChIKey of 2-(2-bromo-3,4-difluorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine?
The InChIKey is UMFJWWUGBUFVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2IN2/c1-6(2)5-9-12(19)13(16)21-14(20-9)7-3-4-8(17)11(18)10(7)15/h3-4,6H,5H2,1-2H3.
What are the key properties of 2-(2-bromo-3,4-difluorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine?
2-(2-bromo-3,4-difluorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine has a molecular weight of 487.51 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3,4-difluorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 107537899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).