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

C14H14BrFIN3 — CID 107924001

IUPAC2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2cc(F)ccc2Br)nc(NC)c1I
InChIInChI=1S/C14H14BrFIN3/c1-3-4-11-12(17)14(18-2)20-13(19-11)9-7-8(16)5-6-10(9)15/h5-7H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyZTYACIAEUHOZOU-UHFFFAOYSA-N
MW450.09 g/mol
LogP4.64
Rot. Bonds4

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

2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 107924001) has the molecular formula C14H14BrFIN3 and a molecular weight of 450.09 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
PubChem CID107924001
Molecular FormulaC14H14BrFIN3
Molecular Weight450.09 g/mol
Exact Mass448.94
IUPAC Name2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2cc(F)ccc2Br)nc(NC)c1I
InChIInChI=1S/C14H14BrFIN3/c1-3-4-11-12(17)14(18-2)20-13(19-11)9-7-8(16)5-6-10(9)15/h5-7H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyZTYACIAEUHOZOU-UHFFFAOYSA-N
XLogP4.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.09
LogP ≤ 54.64
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-(2-methylpropyl)pyrimidin-4-amine
CID 107924043
2-(2-bromophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66304987
5-bromo-2-(2-bromo-5-chlorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66296525
2-(3-chloro-2-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 114488722
2-(2-bromophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66304800
2-(3-bromo-4-methoxyphenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66297498
2-(2,5-dimethylthiophen-3-yl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66297690
2-(4-bromo-3-fluorophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 81441077
5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 107281439
2-(2-bromo-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107281453
2-(2-bromo-5-fluorophenyl)-4,6-dichloro-5-propylpyrimidine
CID 107923785
2-(4-chlorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66305986

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine (CID 107924001) is 2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine is CCCc1nc(-c2cc(F)ccc2Br)nc(NC)c1I.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is ZTYACIAEUHOZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFIN3/c1-3-4-11-12(17)14(18-2)20-13(19-11)9-7-8(16)5-6-10(9)15/h5-7H,3-4H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine?
2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 450.09 g/mol, XLogP of 4.64, 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-propylpyrimidin-4-amine is sourced from PubChem (CID 107924001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).