2-(2-bromo-5-fluorophenyl)-6-tert-butyl-5-iodopyrimidin-4-amine

C14H14BrFIN3 — CID 107924005

IUPAC2-(2-bromo-5-fluorophenyl)-6-tert-butyl-5-iodopyrimidin-4-amine
SMILESCC(C)(C)c1nc(-c2cc(F)ccc2Br)nc(N)c1I
InChIInChI=1S/C14H14BrFIN3/c1-14(2,3)11-10(17)12(18)20-13(19-11)8-6-7(16)4-5-9(8)15/h4-6H,1-3H3,(H2,18,19,20)
InChIKeyRPHRDYIMDQNMAK-UHFFFAOYSA-N
MW450.09 g/mol
LogP4.53
Rot. Bonds1

About 2-(2-bromo-5-fluorophenyl)-6-tert-butyl-5-iodopyrimidin-4-amine

2-(2-bromo-5-fluorophenyl)-6-tert-butyl-5-iodopyrimidin-4-amine (PubChem CID 107924005) has the molecular formula C14H14BrFIN3 and a molecular weight of 450.09 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-6-tert-butyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-6-tert-butyl-5-iodopyrimidin-4-amine
PubChem CID107924005
Molecular FormulaC14H14BrFIN3
Molecular Weight450.09 g/mol
Exact Mass448.94
IUPAC Name2-(2-bromo-5-fluorophenyl)-6-tert-butyl-5-iodopyrimidin-4-amine
SMILESCC(C)(C)c1nc(-c2cc(F)ccc2Br)nc(N)c1I
InChIInChI=1S/C14H14BrFIN3/c1-14(2,3)11-10(17)12(18)20-13(19-11)8-6-7(16)4-5-9(8)15/h4-6H,1-3H3,(H2,18,19,20)
InChIKeyRPHRDYIMDQNMAK-UHFFFAOYSA-N
XLogP4.53
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.09
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-5-fluorophenyl)-5,6-dimethylpyrimidin-4-amine
CID 114016371
5-bromo-6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 66306206
2-(3-bromo-4-methoxyphenyl)-6-tert-butyl-5-iodopyrimidin-4-amine
CID 66295776
6-tert-butyl-2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine
CID 66295197
4-amino-2-(2-bromo-5-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 107924801
6-tert-butyl-2-(3,5-dimethylphenyl)-5-iodopyrimidin-4-amine
CID 66296933
6-tert-butyl-2-(4-chlorophenyl)-5-iodopyrimidin-4-amine
CID 66307224
2-(2-bromo-5-fluorophenyl)-6-phenylpyrimidin-4-amine
CID 107923936
5-bromo-2-(4-bromo-3-fluorophenyl)-6-tert-butylpyrimidin-4-amine
CID 81440655
2-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 107924270
6-tert-butyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine
CID 81311851
5-bromo-6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-amine
CID 66307404

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-6-tert-butyl-5-iodopyrimidin-4-amine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-6-tert-butyl-5-iodopyrimidin-4-amine (CID 107924005) is 2-(2-bromo-5-fluorophenyl)-6-tert-butyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-6-tert-butyl-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-6-tert-butyl-5-iodopyrimidin-4-amine is CC(C)(C)c1nc(-c2cc(F)ccc2Br)nc(N)c1I.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-6-tert-butyl-5-iodopyrimidin-4-amine?
The InChIKey is RPHRDYIMDQNMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFIN3/c1-14(2,3)11-10(17)12(18)20-13(19-11)8-6-7(16)4-5-9(8)15/h4-6H,1-3H3,(H2,18,19,20).
What are the key properties of 2-(2-bromo-5-fluorophenyl)-6-tert-butyl-5-iodopyrimidin-4-amine?
2-(2-bromo-5-fluorophenyl)-6-tert-butyl-5-iodopyrimidin-4-amine has a molecular weight of 450.09 g/mol, XLogP of 4.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-6-tert-butyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 107924005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).