2-(2-bromophenyl)-5-iodo-6-propylpyrimidin-4-amine

C13H13BrIN3 — CID 66307167

IUPAC2-(2-bromophenyl)-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccccc2Br)nc(N)c1I
InChIInChI=1S/C13H13BrIN3/c1-2-5-10-11(15)12(16)18-13(17-10)8-6-3-4-7-9(8)14/h3-4,6-7H,2,5H2,1H3,(H2,16,17,18)
InChIKeyKMTHYMDHDYBNJB-UHFFFAOYSA-N
MW418.08 g/mol
LogP4.05
Rot. Bonds3

About 2-(2-bromophenyl)-5-iodo-6-propylpyrimidin-4-amine

2-(2-bromophenyl)-5-iodo-6-propylpyrimidin-4-amine (PubChem CID 66307167) has the molecular formula C13H13BrIN3 and a molecular weight of 418.08 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-iodo-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-iodo-6-propylpyrimidin-4-amine
PubChem CID66307167
Molecular FormulaC13H13BrIN3
Molecular Weight418.08 g/mol
Exact Mass416.93
IUPAC Name2-(2-bromophenyl)-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccccc2Br)nc(N)c1I
InChIInChI=1S/C13H13BrIN3/c1-2-5-10-11(15)12(16)18-13(17-10)8-6-3-4-7-9(8)14/h3-4,6-7H,2,5H2,1H3,(H2,16,17,18)
InChIKeyKMTHYMDHDYBNJB-UHFFFAOYSA-N
XLogP4.05
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.08
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-iodo-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(2-bromophenyl)-5-iodo-6-propylpyrimidin-4-amine (CID 66307167) is 2-(2-bromophenyl)-5-iodo-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromophenyl)-5-iodo-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(2-bromophenyl)-5-iodo-6-propylpyrimidin-4-amine is CCCc1nc(-c2ccccc2Br)nc(N)c1I.
What is the InChIKey of 2-(2-bromophenyl)-5-iodo-6-propylpyrimidin-4-amine?
The InChIKey is KMTHYMDHDYBNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrIN3/c1-2-5-10-11(15)12(16)18-13(17-10)8-6-3-4-7-9(8)14/h3-4,6-7H,2,5H2,1H3,(H2,16,17,18).
What are the key properties of 2-(2-bromophenyl)-5-iodo-6-propylpyrimidin-4-amine?
2-(2-bromophenyl)-5-iodo-6-propylpyrimidin-4-amine has a molecular weight of 418.08 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-iodo-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66307167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).