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

C15H20N4O — CID 107368222

IUPACN'-benzyl-N'-(5-methoxypyrimidin-2-yl)propane-1,3-diamine
SMILESCOc1cnc(N(CCCN)Cc2ccccc2)nc1
InChIInChI=1S/C15H20N4O/c1-20-14-10-17-15(18-11-14)19(9-5-8-16)12-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,12,16H2,1H3
InChIKeyFTPWLGRTACHENB-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.84
Rot. Bonds7

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

N'-benzyl-N'-(5-methoxypyrimidin-2-yl)propane-1,3-diamine (PubChem CID 107368222) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N'-benzyl-N'-(5-methoxypyrimidin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(5-methoxypyrimidin-2-yl)propane-1,3-diamine
PubChem CID107368222
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN'-benzyl-N'-(5-methoxypyrimidin-2-yl)propane-1,3-diamine
SMILESCOc1cnc(N(CCCN)Cc2ccccc2)nc1
InChIInChI=1S/C15H20N4O/c1-20-14-10-17-15(18-11-14)19(9-5-8-16)12-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,12,16H2,1H3
InChIKeyFTPWLGRTACHENB-UHFFFAOYSA-N
XLogP1.84
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-benzyl-N'-(5-fluoropyrimidin-2-yl)propane-1,3-diamine
CID 107368571
N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine
CID 28770483
N'-(5-methoxy-2-pyridinyl)-N'-phenylpropane-1,3-diamine
CID 106503634
N-benzyl-5-bromo-4-methoxy-N-propylpyrimidin-2-amine
CID 106998746
N'-benzyl-N'-(2-methyl-4-pyridinyl)propane-1,3-diamine
CID 107368407
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
5-[3-aminopropyl(benzyl)amino]pyrazine-2-carbonitrile
CID 107368193
N'-(4-methoxyphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 62698200
N'-(3-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 28770717
N'-benzyl-N'-(2-chlorophenyl)propane-1,3-diamine
CID 28770789
N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(5-methoxypyrimidin-2-yl)propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-(5-methoxypyrimidin-2-yl)propane-1,3-diamine (CID 107368222) is N'-benzyl-N'-(5-methoxypyrimidin-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-(5-methoxypyrimidin-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-(5-methoxypyrimidin-2-yl)propane-1,3-diamine is COc1cnc(N(CCCN)Cc2ccccc2)nc1.
What is the InChIKey of N'-benzyl-N'-(5-methoxypyrimidin-2-yl)propane-1,3-diamine?
The InChIKey is FTPWLGRTACHENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-20-14-10-17-15(18-11-14)19(9-5-8-16)12-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,12,16H2,1H3.
What are the key properties of N'-benzyl-N'-(5-methoxypyrimidin-2-yl)propane-1,3-diamine?
N'-benzyl-N'-(5-methoxypyrimidin-2-yl)propane-1,3-diamine has a molecular weight of 272.35 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(5-methoxypyrimidin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 107368222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).