2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine

C15H16BrFIN3 — CID 107924043

IUPAC2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCNc1nc(-c2cc(F)ccc2Br)nc(CC(C)C)c1I
InChIInChI=1S/C15H16BrFIN3/c1-8(2)6-12-13(18)15(19-3)21-14(20-12)10-7-9(17)4-5-11(10)16/h4-5,7-8H,6H2,1-3H3,(H,19,20,21)
InChIKeyKJLAAWCTKFJKDY-UHFFFAOYSA-N
MW464.12 g/mol
LogP4.89
Rot. Bonds4

About 2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine

2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 107924043) has the molecular formula C15H16BrFIN3 and a molecular weight of 464.12 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine
PubChem CID107924043
Molecular FormulaC15H16BrFIN3
Molecular Weight464.12 g/mol
Exact Mass462.96
IUPAC Name2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCNc1nc(-c2cc(F)ccc2Br)nc(CC(C)C)c1I
InChIInChI=1S/C15H16BrFIN3/c1-8(2)6-12-13(18)15(19-3)21-14(20-12)10-7-9(17)4-5-11(10)16/h4-5,7-8H,6H2,1-3H3,(H,19,20,21)
InChIKeyKJLAAWCTKFJKDY-UHFFFAOYSA-N
XLogP4.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.12
LogP ≤ 54.89
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-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 107924001
2-(4-fluoro-2-methylphenyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 81277426
5-iodo-N-methyl-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
CID 115528560
2-(2-bromophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66304987
1-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 107924502
2-(2-bromo-5-fluorophenyl)-N,6-dimethylpyrimidin-4-amine
CID 107923946
1-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 107924519
2-(2-bromo-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107281453
2-(2-bromo-3,4-difluorophenyl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 107539760
2-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 107924270
5-bromo-2-(5-fluoro-2-methylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 66304873
3-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 107924268

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine (CID 107924043) is 2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine is CNc1nc(-c2cc(F)ccc2Br)nc(CC(C)C)c1I.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is KJLAAWCTKFJKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFIN3/c1-8(2)6-12-13(18)15(19-3)21-14(20-12)10-7-9(17)4-5-11(10)16/h4-5,7-8H,6H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine?
2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 464.12 g/mol, XLogP of 4.89, 4 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)-5-iodo-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 107924043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).