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

C15H17BrIN3 — CID 66301068

IUPAC2-(2-bromophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccccc2Br)nc(CC)c1I
InChIInChI=1S/C15H17BrIN3/c1-3-9-18-15-13(17)12(4-2)19-14(20-15)10-7-5-6-8-11(10)16/h5-8H,3-4,9H2,1-2H3,(H,18,19,20)
InChIKeyMYGQUJJEQJXJGB-UHFFFAOYSA-N
MW446.13 g/mol
LogP4.89
Rot. Bonds5

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

2-(2-bromophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine (PubChem CID 66301068) has the molecular formula C15H17BrIN3 and a molecular weight of 446.13 g/mol. Its IUPAC name is 2-(2-bromophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
PubChem CID66301068
Molecular FormulaC15H17BrIN3
Molecular Weight446.13 g/mol
Exact Mass444.97
IUPAC Name2-(2-bromophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccccc2Br)nc(CC)c1I
InChIInChI=1S/C15H17BrIN3/c1-3-9-18-15-13(17)12(4-2)19-14(20-15)10-7-5-6-8-11(10)16/h5-8H,3-4,9H2,1-2H3,(H,18,19,20)
InChIKeyMYGQUJJEQJXJGB-UHFFFAOYSA-N
XLogP4.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.13
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(2-bromophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine (CID 66301068) is 2-(2-bromophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(2-bromophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccccc2Br)nc(CC)c1I.
What is the InChIKey of 2-(2-bromophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The InChIKey is MYGQUJJEQJXJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrIN3/c1-3-9-18-15-13(17)12(4-2)19-14(20-15)10-7-5-6-8-11(10)16/h5-8H,3-4,9H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(2-bromophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
2-(2-bromophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine has a molecular weight of 446.13 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66301068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).