2-(3-bromo-4-methoxyphenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine

C15H17BrIN3O — CID 66297498

IUPAC2-(3-bromo-4-methoxyphenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccc(OC)c(Br)c2)nc(NC)c1I
InChIInChI=1S/C15H17BrIN3O/c1-4-5-11-13(17)15(18-2)20-14(19-11)9-6-7-12(21-3)10(16)8-9/h6-8H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyQXYKOFYFBICWLE-UHFFFAOYSA-N
MW462.13 g/mol
LogP4.51
Rot. Bonds5

About 2-(3-bromo-4-methoxyphenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine

2-(3-bromo-4-methoxyphenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 66297498) has the molecular formula C15H17BrIN3O and a molecular weight of 462.13 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
PubChem CID66297498
Molecular FormulaC15H17BrIN3O
Molecular Weight462.13 g/mol
Exact Mass460.96
IUPAC Name2-(3-bromo-4-methoxyphenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccc(OC)c(Br)c2)nc(NC)c1I
InChIInChI=1S/C15H17BrIN3O/c1-4-5-11-13(17)15(18-2)20-14(19-11)9-6-7-12(21-3)10(16)8-9/h6-8H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyQXYKOFYFBICWLE-UHFFFAOYSA-N
XLogP4.51
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.13
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-bromo-4-methoxyphenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66305986
2-(3-bromo-4-methoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 55045736
5-bromo-2-(3-bromo-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 82800970
2-(2-bromophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66304987
4-(3-bromo-4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine
CID 106951384
2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 107924001
2-(4-bromo-3-fluorophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 81441077
[2-(3-bromo-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 63561231
2-(3,4-dimethylphenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66296731
5-(4-amino-5-iodo-6-propylpyrimidin-2-yl)-2-methoxyphenol
CID 66295374
6-ethyl-5-iodo-2-(6-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine
CID 114938393
6-ethyl-5-iodo-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66301253

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine (CID 66297498) is 2-(3-bromo-4-methoxyphenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine is CCCc1nc(-c2ccc(OC)c(Br)c2)nc(NC)c1I.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is QXYKOFYFBICWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrIN3O/c1-4-5-11-13(17)15(18-2)20-14(19-11)9-6-7-12(21-3)10(16)8-9/h6-8H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine?
2-(3-bromo-4-methoxyphenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 462.13 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66297498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).