N'-(2-fluorophenyl)-N'-(5-iodopyrimidin-4-yl)propane-1,3-diamine

C13H14FIN4 — CID 66340294

IUPACN'-(2-fluorophenyl)-N'-(5-iodopyrimidin-4-yl)propane-1,3-diamine
SMILESNCCCN(c1ccccc1F)c1ncncc1I
InChIInChI=1S/C13H14FIN4/c14-10-4-1-2-5-12(10)19(7-3-6-16)13-11(15)8-17-9-18-13/h1-2,4-5,8-9H,3,6-7,16H2
InChIKeyHFHJKWWCNBSYRB-UHFFFAOYSA-N
MW372.19 g/mol
LogP2.71
Rot. Bonds5

About N'-(2-fluorophenyl)-N'-(5-iodopyrimidin-4-yl)propane-1,3-diamine

N'-(2-fluorophenyl)-N'-(5-iodopyrimidin-4-yl)propane-1,3-diamine (PubChem CID 66340294) has the molecular formula C13H14FIN4 and a molecular weight of 372.19 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-N'-(5-iodopyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-N'-(5-iodopyrimidin-4-yl)propane-1,3-diamine
PubChem CID66340294
Molecular FormulaC13H14FIN4
Molecular Weight372.19 g/mol
Exact Mass372.02
IUPAC NameN'-(2-fluorophenyl)-N'-(5-iodopyrimidin-4-yl)propane-1,3-diamine
SMILESNCCCN(c1ccccc1F)c1ncncc1I
InChIInChI=1S/C13H14FIN4/c14-10-4-1-2-5-12(10)19(7-3-6-16)13-11(15)8-17-9-18-13/h1-2,4-5,8-9H,3,6-7,16H2
InChIKeyHFHJKWWCNBSYRB-UHFFFAOYSA-N
XLogP2.71
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.19
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-N'-(5-iodopyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N'-(2-fluorophenyl)-N'-(5-iodopyrimidin-4-yl)propane-1,3-diamine (CID 66340294) is N'-(2-fluorophenyl)-N'-(5-iodopyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-fluorophenyl)-N'-(5-iodopyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-(2-fluorophenyl)-N'-(5-iodopyrimidin-4-yl)propane-1,3-diamine is NCCCN(c1ccccc1F)c1ncncc1I.
What is the InChIKey of N'-(2-fluorophenyl)-N'-(5-iodopyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is HFHJKWWCNBSYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FIN4/c14-10-4-1-2-5-12(10)19(7-3-6-16)13-11(15)8-17-9-18-13/h1-2,4-5,8-9H,3,6-7,16H2.
What are the key properties of N'-(2-fluorophenyl)-N'-(5-iodopyrimidin-4-yl)propane-1,3-diamine?
N'-(2-fluorophenyl)-N'-(5-iodopyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 372.19 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-N'-(5-iodopyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 66340294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).