2-(3-bromo-4-methylphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine

C15H17BrIN3 — CID 105410505

IUPAC2-(3-bromo-4-methylphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c(I)c(CC(C)C)n2)cc1Br
InChIInChI=1S/C15H17BrIN3/c1-8(2)6-12-13(17)14(18)20-15(19-12)10-5-4-9(3)11(16)7-10/h4-5,7-8H,6H2,1-3H3,(H2,18,19,20)
InChIKeyGUTGJUXRVBBSAX-UHFFFAOYSA-N
MW446.13 g/mol
LogP4.60
Rot. Bonds3

About 2-(3-bromo-4-methylphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine

2-(3-bromo-4-methylphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 105410505) has the molecular formula C15H17BrIN3 and a molecular weight of 446.13 g/mol. Its IUPAC name is 2-(3-bromo-4-methylphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromo-4-methylphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
PubChem CID105410505
Molecular FormulaC15H17BrIN3
Molecular Weight446.13 g/mol
Exact Mass444.97
IUPAC Name2-(3-bromo-4-methylphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c(I)c(CC(C)C)n2)cc1Br
InChIInChI=1S/C15H17BrIN3/c1-8(2)6-12-13(17)14(18)20-15(19-12)10-5-4-9(3)11(16)7-10/h4-5,7-8H,6H2,1-3H3,(H2,18,19,20)
InChIKeyGUTGJUXRVBBSAX-UHFFFAOYSA-N
XLogP4.60
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.13
LogP ≤ 54.60
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-(3-bromo-4-methylphenyl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 105410474
2-(3-bromo-4-methylphenyl)-5-iodo-6-methylpyrimidin-4-amine
CID 105410430
2-(3-bromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 115381240
2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
CID 115565778
2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-iodopyrimidine
CID 105408003
2-(3-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 105410395
2-[[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine
CID 107916319
1-[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 104881000
2-(3-bromo-4-methylphenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 105410452
6-ethyl-5-iodo-2-(4-methylphenyl)pyrimidin-4-amine
CID 66298872
methyl 4-amino-2-(3-bromo-4-methylphenyl)-6-methylpyrimidine-5-carboxylate
CID 107916074
ethyl 4-amino-2-(3-bromo-4-methylphenyl)-6-methylpyrimidine-5-carboxylate
CID 107916076

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 2-(3-bromo-4-methylphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine (CID 105410505) is 2-(3-bromo-4-methylphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromo-4-methylphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 2-(3-bromo-4-methylphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine is Cc1ccc(-c2nc(N)c(I)c(CC(C)C)n2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is GUTGJUXRVBBSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrIN3/c1-8(2)6-12-13(17)14(18)20-15(19-12)10-5-4-9(3)11(16)7-10/h4-5,7-8H,6H2,1-3H3,(H2,18,19,20).
What are the key properties of 2-(3-bromo-4-methylphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine?
2-(3-bromo-4-methylphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 446.13 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 105410505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).