N'-methyl-N'-phenyl-N-(pyrimidin-5-ylmethyl)propane-1,3-diamine

C15H20N4 — CID 62758385

IUPACN'-methyl-N'-phenyl-N-(pyrimidin-5-ylmethyl)propane-1,3-diamine
SMILESCN(CCCNCc1cncnc1)c1ccccc1
InChIInChI=1S/C15H20N4/c1-19(15-6-3-2-4-7-15)9-5-8-16-10-14-11-17-13-18-12-14/h2-4,6-7,11-13,16H,5,8-10H2,1H3
InChIKeyCJDLOPHYUQVOHE-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.09
Rot. Bonds7

About N'-methyl-N'-phenyl-N-(pyrimidin-5-ylmethyl)propane-1,3-diamine

N'-methyl-N'-phenyl-N-(pyrimidin-5-ylmethyl)propane-1,3-diamine (PubChem CID 62758385) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-methyl-N'-phenyl-N-(pyrimidin-5-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-phenyl-N-(pyrimidin-5-ylmethyl)propane-1,3-diamine
PubChem CID62758385
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN'-methyl-N'-phenyl-N-(pyrimidin-5-ylmethyl)propane-1,3-diamine
SMILESCN(CCCNCc1cncnc1)c1ccccc1
InChIInChI=1S/C15H20N4/c1-19(15-6-3-2-4-7-15)9-5-8-16-10-14-11-17-13-18-12-14/h2-4,6-7,11-13,16H,5,8-10H2,1H3
InChIKeyCJDLOPHYUQVOHE-UHFFFAOYSA-N
XLogP2.09
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N'-phenyl-N-(pyrazin-2-ylmethyl)propane-1,3-diamine
CID 62763220
N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
CID 114525044
N',N'-dimethyl-N-(pyrimidin-5-ylmethyl)ethane-1,2-diamine
CID 62763082
2-[6-(N-methylanilino)hexylamino]ethanol
CID 70247662
N-[(3-chloro-4-fluorophenyl)methyl]-N'-methyl-N'-phenylpropane-1,3-diamine
CID 81146990
N-(1H-imidazol-2-ylmethyl)-N'-methyl-N'-phenylbutane-1,4-diamine
CID 119111564
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methyl-N'-phenylpropane-1,3-diamine
CID 28780886
N'-methyl-N'-phenyl-N-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 60694773
N-[(2-ethylpyrazol-3-yl)methyl]-N'-methyl-N'-phenylpropane-1,3-diamine
CID 115761423
N-(pyrimidin-5-ylmethyl)heptan-1-amine
CID 82672400
5-[3-(N-methylanilino)propylamino]pentanoic acid
CID 103232553
3-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
CID 55152744

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-phenyl-N-(pyrimidin-5-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-phenyl-N-(pyrimidin-5-ylmethyl)propane-1,3-diamine (CID 62758385) is N'-methyl-N'-phenyl-N-(pyrimidin-5-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-phenyl-N-(pyrimidin-5-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-phenyl-N-(pyrimidin-5-ylmethyl)propane-1,3-diamine is CN(CCCNCc1cncnc1)c1ccccc1.
What is the InChIKey of N'-methyl-N'-phenyl-N-(pyrimidin-5-ylmethyl)propane-1,3-diamine?
The InChIKey is CJDLOPHYUQVOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-19(15-6-3-2-4-7-15)9-5-8-16-10-14-11-17-13-18-12-14/h2-4,6-7,11-13,16H,5,8-10H2,1H3.
What are the key properties of N'-methyl-N'-phenyl-N-(pyrimidin-5-ylmethyl)propane-1,3-diamine?
N'-methyl-N'-phenyl-N-(pyrimidin-5-ylmethyl)propane-1,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-phenyl-N-(pyrimidin-5-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62758385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).