4-N-(3-bromo-4-iodophenyl)-5-methylpyrimidine-2,4-diamine

C11H10BrIN4 — CID 114262803

IUPAC4-N-(3-bromo-4-iodophenyl)-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1Nc1ccc(I)c(Br)c1
InChIInChI=1S/C11H10BrIN4/c1-6-5-15-11(14)17-10(6)16-7-2-3-9(13)8(12)4-7/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyRSDOSIFBJZBCKO-UHFFFAOYSA-N
MW405.04 g/mol
LogP3.48
Rot. Bonds2

About 4-N-(3-bromo-4-iodophenyl)-5-methylpyrimidine-2,4-diamine

4-N-(3-bromo-4-iodophenyl)-5-methylpyrimidine-2,4-diamine (PubChem CID 114262803) has the molecular formula C11H10BrIN4 and a molecular weight of 405.04 g/mol. Its IUPAC name is 4-N-(3-bromo-4-iodophenyl)-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-4-iodophenyl)-5-methylpyrimidine-2,4-diamine
PubChem CID114262803
Molecular FormulaC11H10BrIN4
Molecular Weight405.04 g/mol
Exact Mass403.91
IUPAC Name4-N-(3-bromo-4-iodophenyl)-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1Nc1ccc(I)c(Br)c1
InChIInChI=1S/C11H10BrIN4/c1-6-5-15-11(14)17-10(6)16-7-2-3-9(13)8(12)4-7/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyRSDOSIFBJZBCKO-UHFFFAOYSA-N
XLogP3.48
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.04
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine
CID 80840874
4-N-(3,4-diethoxyphenyl)-5-methylpyrimidine-2,4-diamine
CID 80769404
3-[(2-amino-5-methylpyrimidin-4-yl)amino]benzonitrile
CID 80760475
4-N-(3-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine
CID 80851369
5-bromo-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 80762038
N-(3-bromo-4-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine
CID 79073488
4-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylpyrimidine-2,4-diamine
CID 80768905
4-N-(3-bromo-4-iodophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 114262788
4-N-[4-(diethylamino)phenyl]-5-methylpyrimidine-2,4-diamine
CID 80828929
N-(4-bromo-3-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine
CID 79075424
6-N-(3-bromo-4-methylphenyl)-7H-purine-2,6-diamine
CID 114785187
3-amino-2-(3-bromo-4-iodoanilino)pyridine-4-carbonitrile
CID 114261881

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-4-iodophenyl)-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-bromo-4-iodophenyl)-5-methylpyrimidine-2,4-diamine (CID 114262803) is 4-N-(3-bromo-4-iodophenyl)-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-bromo-4-iodophenyl)-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-bromo-4-iodophenyl)-5-methylpyrimidine-2,4-diamine is Cc1cnc(N)nc1Nc1ccc(I)c(Br)c1.
What is the InChIKey of 4-N-(3-bromo-4-iodophenyl)-5-methylpyrimidine-2,4-diamine?
The InChIKey is RSDOSIFBJZBCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrIN4/c1-6-5-15-11(14)17-10(6)16-7-2-3-9(13)8(12)4-7/h2-5H,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-(3-bromo-4-iodophenyl)-5-methylpyrimidine-2,4-diamine?
4-N-(3-bromo-4-iodophenyl)-5-methylpyrimidine-2,4-diamine has a molecular weight of 405.04 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromo-4-iodophenyl)-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 114262803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).