N'-benzyl-N'-(5-fluoropyrimidin-2-yl)propane-1,3-diamine

C14H17FN4 — CID 107368571

IUPACN'-benzyl-N'-(5-fluoropyrimidin-2-yl)propane-1,3-diamine
SMILESNCCCN(Cc1ccccc1)c1ncc(F)cn1
InChIInChI=1S/C14H17FN4/c15-13-9-17-14(18-10-13)19(8-4-7-16)11-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11,16H2
InChIKeyNNHGRKVTCSDJJB-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.97
Rot. Bonds6

About N'-benzyl-N'-(5-fluoropyrimidin-2-yl)propane-1,3-diamine

N'-benzyl-N'-(5-fluoropyrimidin-2-yl)propane-1,3-diamine (PubChem CID 107368571) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is N'-benzyl-N'-(5-fluoropyrimidin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(5-fluoropyrimidin-2-yl)propane-1,3-diamine
PubChem CID107368571
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC NameN'-benzyl-N'-(5-fluoropyrimidin-2-yl)propane-1,3-diamine
SMILESNCCCN(Cc1ccccc1)c1ncc(F)cn1
InChIInChI=1S/C14H17FN4/c15-13-9-17-14(18-10-13)19(8-4-7-16)11-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11,16H2
InChIKeyNNHGRKVTCSDJJB-UHFFFAOYSA-N
XLogP1.97
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-benzyl-N'-(5-methoxypyrimidin-2-yl)propane-1,3-diamine
CID 107368222
N'-benzyl-N'-(3-fluoro-2-pyridinyl)propane-1,3-diamine
CID 107368121
N'-benzyl-N'-(5-chloro-3-fluoro-2-pyridinyl)propane-1,3-diamine
CID 107368165
N'-benzyl-N'-(2-methyl-4-pyridinyl)propane-1,3-diamine
CID 107368407
5-[3-aminopropyl(benzyl)amino]pyrazine-2-carbonitrile
CID 107368193
2-[3-aminopropyl(benzyl)amino]-5-fluorobenzonitrile
CID 107368100
N'-benzyl-N'-(2-chlorophenyl)propane-1,3-diamine
CID 28770789
N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine
CID 107367851
N'-benzyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine
CID 107368386
N'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine
CID 107365236
4-[3-aminopropyl(benzyl)amino]-5-chloro-1H-pyridazin-6-one
CID 107368526
N'-benzyl-N'-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 107368586

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(5-fluoropyrimidin-2-yl)propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-(5-fluoropyrimidin-2-yl)propane-1,3-diamine (CID 107368571) is N'-benzyl-N'-(5-fluoropyrimidin-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-(5-fluoropyrimidin-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-(5-fluoropyrimidin-2-yl)propane-1,3-diamine is NCCCN(Cc1ccccc1)c1ncc(F)cn1.
What is the InChIKey of N'-benzyl-N'-(5-fluoropyrimidin-2-yl)propane-1,3-diamine?
The InChIKey is NNHGRKVTCSDJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c15-13-9-17-14(18-10-13)19(8-4-7-16)11-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11,16H2.
What are the key properties of N'-benzyl-N'-(5-fluoropyrimidin-2-yl)propane-1,3-diamine?
N'-benzyl-N'-(5-fluoropyrimidin-2-yl)propane-1,3-diamine has a molecular weight of 260.32 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(5-fluoropyrimidin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 107368571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).