2-(4-bromophenyl)-5-iodopyrimidin-4-amine

C10H7BrIN3 — CID 66304324

IUPAC2-(4-bromophenyl)-5-iodopyrimidin-4-amine
SMILESNc1nc(-c2ccc(Br)cc2)ncc1I
InChIInChI=1S/C10H7BrIN3/c11-7-3-1-6(2-4-7)10-14-5-8(12)9(13)15-10/h1-5H,(H2,13,14,15)
InChIKeyFLWQDKJWJRWWHJ-UHFFFAOYSA-N
MW376.00 g/mol
LogP3.09
Rot. Bonds1

About 2-(4-bromophenyl)-5-iodopyrimidin-4-amine

2-(4-bromophenyl)-5-iodopyrimidin-4-amine (PubChem CID 66304324) has the molecular formula C10H7BrIN3 and a molecular weight of 376.00 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-iodopyrimidin-4-amine
PubChem CID66304324
Molecular FormulaC10H7BrIN3
Molecular Weight376.00 g/mol
Exact Mass374.89
IUPAC Name2-(4-bromophenyl)-5-iodopyrimidin-4-amine
SMILESNc1nc(-c2ccc(Br)cc2)ncc1I
InChIInChI=1S/C10H7BrIN3/c11-7-3-1-6(2-4-7)10-14-5-8(12)9(13)15-10/h1-5H,(H2,13,14,15)
InChIKeyFLWQDKJWJRWWHJ-UHFFFAOYSA-N
XLogP3.09
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.00
LogP ≤ 53.09
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-(4-bromo-3-fluorophenyl)-5-iodopyrimidin-4-amine
CID 81440933
2-(4-bromophenyl)-4-chloro-5-iodopyrimidine
CID 66293475
2-(3-bromo-5-fluorophenyl)-5-iodopyrimidin-4-amine
CID 66423101
2-(4-ethoxyphenyl)-5-iodopyrimidin-4-amine
CID 66297425
5-iodo-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 66297036
2-(3-fluoro-4-methylphenyl)-5-iodopyrimidin-4-amine
CID 66303715
5-iodo-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine
CID 66297619
2-(4-bromophenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66304355
2,5-bis(4-bromophenyl)pyrimidine
CID 14089893
2-(4-bromophenyl)-6-cyclopropyl-5-iodopyrimidin-4-amine
CID 66303584
2-(3-ethoxyphenyl)-5-iodopyrimidin-4-amine
CID 66302482
5-bromo-2-(3-bromo-4-chlorophenyl)pyrimidin-4-amine
CID 115568327

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-iodopyrimidin-4-amine?
The IUPAC name of 2-(4-bromophenyl)-5-iodopyrimidin-4-amine (CID 66304324) is 2-(4-bromophenyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromophenyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-(4-bromophenyl)-5-iodopyrimidin-4-amine is Nc1nc(-c2ccc(Br)cc2)ncc1I.
What is the InChIKey of 2-(4-bromophenyl)-5-iodopyrimidin-4-amine?
The InChIKey is FLWQDKJWJRWWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrIN3/c11-7-3-1-6(2-4-7)10-14-5-8(12)9(13)15-10/h1-5H,(H2,13,14,15).
What are the key properties of 2-(4-bromophenyl)-5-iodopyrimidin-4-amine?
2-(4-bromophenyl)-5-iodopyrimidin-4-amine has a molecular weight of 376.00 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66304324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).