4-N-(4-fluoro-2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine

C11H10FIN4 — CID 80849441

IUPAC4-N-(4-fluoro-2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc(F)cc2I)ncn1
InChIInChI=1S/C11H10FIN4/c1-14-10-5-11(16-6-15-10)17-9-3-2-7(12)4-8(9)13/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyREXFJMBCYJJQIZ-UHFFFAOYSA-N
MW344.13 g/mol
LogP3.01
Rot. Bonds3

About 4-N-(4-fluoro-2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine

4-N-(4-fluoro-2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80849441) has the molecular formula C11H10FIN4 and a molecular weight of 344.13 g/mol. Its IUPAC name is 4-N-(4-fluoro-2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-fluoro-2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID80849441
Molecular FormulaC11H10FIN4
Molecular Weight344.13 g/mol
Exact Mass343.99
IUPAC Name4-N-(4-fluoro-2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc(F)cc2I)ncn1
InChIInChI=1S/C11H10FIN4/c1-14-10-5-11(16-6-15-10)17-9-3-2-7(12)4-8(9)13/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyREXFJMBCYJJQIZ-UHFFFAOYSA-N
XLogP3.01
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.13
LogP ≤ 53.01
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-(5-fluoro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762561
4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80763536
4-N-(4-fluoro-2-iodophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80949746
4-N-(4-fluoro-2-iodophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80849992
4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80760392
4-N-(2-fluoro-5-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80755577
4-N-(2,3-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80797193
2-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile
CID 79766787
N-(4-fluoro-2-iodophenyl)-1H-imidazol-2-amine
CID 106576399
2-(4-fluoro-2-iodoanilino)pyridine-4-carboxylic acid
CID 79766331
2-N-ethyl-6-N-(4-fluoro-2-iodophenyl)pyridine-2,6-diamine
CID 80849440
6-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80763069

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluoro-2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-fluoro-2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine (CID 80849441) is 4-N-(4-fluoro-2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-fluoro-2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-fluoro-2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine is CNc1cc(Nc2ccc(F)cc2I)ncn1.
What is the InChIKey of 4-N-(4-fluoro-2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is REXFJMBCYJJQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FIN4/c1-14-10-5-11(16-6-15-10)17-9-3-2-7(12)4-8(9)13/h2-6H,1H3,(H2,14,15,16,17).
What are the key properties of 4-N-(4-fluoro-2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine?
4-N-(4-fluoro-2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 344.13 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluoro-2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80849441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).