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

C10H7BrIN3 — CID 66339928

IUPACN-(4-bromophenyl)-5-iodopyrimidin-4-amine
SMILESBrc1ccc(Nc2ncncc2I)cc1
InChIInChI=1S/C10H7BrIN3/c11-7-1-3-8(4-2-7)15-10-9(12)5-13-6-14-10/h1-6H,(H,13,14,15)
InChIKeyVGKLDCQDMRRCHH-UHFFFAOYSA-N
MW376.00 g/mol
LogP3.59
Rot. Bonds2

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

N-(4-bromophenyl)-5-iodopyrimidin-4-amine (PubChem CID 66339928) has the molecular formula C10H7BrIN3 and a molecular weight of 376.00 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-iodopyrimidin-4-amine
PubChem CID66339928
Molecular FormulaC10H7BrIN3
Molecular Weight376.00 g/mol
Exact Mass374.89
IUPAC NameN-(4-bromophenyl)-5-iodopyrimidin-4-amine
SMILESBrc1ccc(Nc2ncncc2I)cc1
InChIInChI=1S/C10H7BrIN3/c11-7-1-3-8(4-2-7)15-10-9(12)5-13-6-14-10/h1-6H,(H,13,14,15)
InChIKeyVGKLDCQDMRRCHH-UHFFFAOYSA-N
XLogP3.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.00
LogP ≤ 53.59
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

5-iodo-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 66341010
5-iodo-N-(4-methoxyphenyl)pyrimidin-4-amine
CID 66341469
N-(4-bromo-3-methylphenyl)-5-iodopyrimidin-4-amine
CID 66340130
5-iodo-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 66341024
N-(4-bromo-2,6-dimethylphenyl)-5-iodopyrimidin-4-amine
CID 66318194
N-(4-bromophenyl)pyrimidin-5-amine
CID 115046650
N-(3-fluoro-5-methylphenyl)-5-iodopyrimidin-4-amine
CID 79046105
4-N-(5-bromopyrimidin-4-yl)benzene-1,4-diamine
CID 66339869
N-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidin-4-amine
CID 114840671
N-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine
CID 66340603
N-(3,5-dichloro-4-fluorophenyl)-5-iodopyrimidin-4-amine
CID 107577807
N-(2,4-dichlorophenyl)-5-iodopyrimidin-4-amine
CID 66340125

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-iodopyrimidin-4-amine?
The IUPAC name of N-(4-bromophenyl)-5-iodopyrimidin-4-amine (CID 66339928) is N-(4-bromophenyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for N-(4-bromophenyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for N-(4-bromophenyl)-5-iodopyrimidin-4-amine is Brc1ccc(Nc2ncncc2I)cc1.
What is the InChIKey of N-(4-bromophenyl)-5-iodopyrimidin-4-amine?
The InChIKey is VGKLDCQDMRRCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrIN3/c11-7-1-3-8(4-2-7)15-10-9(12)5-13-6-14-10/h1-6H,(H,13,14,15).
What are the key properties of N-(4-bromophenyl)-5-iodopyrimidin-4-amine?
N-(4-bromophenyl)-5-iodopyrimidin-4-amine has a molecular weight of 376.00 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66339928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).