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

C13H14BrFN4 — CID 66340075

IUPACN'-(5-bromopyrimidin-4-yl)-N'-(2-fluorophenyl)propane-1,3-diamine
SMILESNCCCN(c1ccccc1F)c1ncncc1Br
InChIInChI=1S/C13H14BrFN4/c14-10-8-17-9-18-13(10)19(7-3-6-16)12-5-2-1-4-11(12)15/h1-2,4-5,8-9H,3,6-7,16H2
InChIKeySSRVNSGJWMNCDL-UHFFFAOYSA-N
MW325.19 g/mol
LogP2.87
Rot. Bonds5

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

N'-(5-bromopyrimidin-4-yl)-N'-(2-fluorophenyl)propane-1,3-diamine (PubChem CID 66340075) has the molecular formula C13H14BrFN4 and a molecular weight of 325.19 g/mol. Its IUPAC name is N'-(5-bromopyrimidin-4-yl)-N'-(2-fluorophenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-bromopyrimidin-4-yl)-N'-(2-fluorophenyl)propane-1,3-diamine
PubChem CID66340075
Molecular FormulaC13H14BrFN4
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC NameN'-(5-bromopyrimidin-4-yl)-N'-(2-fluorophenyl)propane-1,3-diamine
SMILESNCCCN(c1ccccc1F)c1ncncc1Br
InChIInChI=1S/C13H14BrFN4/c14-10-8-17-9-18-13(10)19(7-3-6-16)12-5-2-1-4-11(12)15/h1-2,4-5,8-9H,3,6-7,16H2
InChIKeySSRVNSGJWMNCDL-UHFFFAOYSA-N
XLogP2.87
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(5-bromopyrimidin-4-yl)-N'-(2-fluorophenyl)propane-1,3-diamine?
The IUPAC name of N'-(5-bromopyrimidin-4-yl)-N'-(2-fluorophenyl)propane-1,3-diamine (CID 66340075) is N'-(5-bromopyrimidin-4-yl)-N'-(2-fluorophenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(5-bromopyrimidin-4-yl)-N'-(2-fluorophenyl)propane-1,3-diamine?
The canonical SMILES for N'-(5-bromopyrimidin-4-yl)-N'-(2-fluorophenyl)propane-1,3-diamine is NCCCN(c1ccccc1F)c1ncncc1Br.
What is the InChIKey of N'-(5-bromopyrimidin-4-yl)-N'-(2-fluorophenyl)propane-1,3-diamine?
The InChIKey is SSRVNSGJWMNCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN4/c14-10-8-17-9-18-13(10)19(7-3-6-16)12-5-2-1-4-11(12)15/h1-2,4-5,8-9H,3,6-7,16H2.
What are the key properties of N'-(5-bromopyrimidin-4-yl)-N'-(2-fluorophenyl)propane-1,3-diamine?
N'-(5-bromopyrimidin-4-yl)-N'-(2-fluorophenyl)propane-1,3-diamine has a molecular weight of 325.19 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromopyrimidin-4-yl)-N'-(2-fluorophenyl)propane-1,3-diamine is sourced from PubChem (CID 66340075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).