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

C11H10FIN4 — CID 80763314

IUPAC5-fluoro-4-N-(4-iodophenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(Nc2ccc(I)cc2)n1
InChIInChI=1S/C11H10FIN4/c1-14-11-15-6-9(12)10(17-11)16-8-4-2-7(13)3-5-8/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyODPBEMDPGWYHTQ-UHFFFAOYSA-N
MW344.13 g/mol
LogP3.01
Rot. Bonds3

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

5-fluoro-4-N-(4-iodophenyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80763314) has the molecular formula C11H10FIN4 and a molecular weight of 344.13 g/mol. Its IUPAC name is 5-fluoro-4-N-(4-iodophenyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(4-iodophenyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID80763314
Molecular FormulaC11H10FIN4
Molecular Weight344.13 g/mol
Exact Mass343.99
IUPAC Name5-fluoro-4-N-(4-iodophenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(Nc2ccc(I)cc2)n1
InChIInChI=1S/C11H10FIN4/c1-14-11-15-6-9(12)10(17-11)16-8-4-2-7(13)3-5-8/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyODPBEMDPGWYHTQ-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

5-fluoro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761234
4-N-(4-ethylphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80761999
5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine
CID 954308
4-N-(2,3-dihydro-1H-inden-5-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80762685
5-fluoro-2-N-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine
CID 107647119
2-N,4-N-bis[4-(dimethylamino)phenyl]-5-fluoropyrimidine-2,4-diamine
CID 22060718
5-chloro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761316
4-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80747835
5-fluoro-2-N-methyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824444
5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 104781960
5-bromo-4-N-(4-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761431
4-N-(2-bromophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80760549

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(4-iodophenyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(4-iodophenyl)-2-N-methylpyrimidine-2,4-diamine (CID 80763314) is 5-fluoro-4-N-(4-iodophenyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(4-iodophenyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(4-iodophenyl)-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(F)c(Nc2ccc(I)cc2)n1.
What is the InChIKey of 5-fluoro-4-N-(4-iodophenyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is ODPBEMDPGWYHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FIN4/c1-14-11-15-6-9(12)10(17-11)16-8-4-2-7(13)3-5-8/h2-6H,1H3,(H2,14,15,16,17).
What are the key properties of 5-fluoro-4-N-(4-iodophenyl)-2-N-methylpyrimidine-2,4-diamine?
5-fluoro-4-N-(4-iodophenyl)-2-N-methylpyrimidine-2,4-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 5-fluoro-4-N-(4-iodophenyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80763314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).