N'-benzyl-N-(6-ethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine

C17H24N4 — CID 61236239

IUPACN'-benzyl-N-(6-ethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine
SMILESCCc1cc(NCCCN(C)Cc2ccccc2)ncn1
InChIInChI=1S/C17H24N4/c1-3-16-12-17(20-14-19-16)18-10-7-11-21(2)13-15-8-5-4-6-9-15/h4-6,8-9,12,14H,3,7,10-11,13H2,1-2H3,(H,18,19,20)
InChIKeyXAXOGKPNBJUQNE-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.97
Rot. Bonds8

About N'-benzyl-N-(6-ethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine

N'-benzyl-N-(6-ethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine (PubChem CID 61236239) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N'-benzyl-N-(6-ethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N-(6-ethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine
PubChem CID61236239
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN'-benzyl-N-(6-ethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine
SMILESCCc1cc(NCCCN(C)Cc2ccccc2)ncn1
InChIInChI=1S/C17H24N4/c1-3-16-12-17(20-14-19-16)18-10-7-11-21(2)13-15-8-5-4-6-9-15/h4-6,8-9,12,14H,3,7,10-11,13H2,1-2H3,(H,18,19,20)
InChIKeyXAXOGKPNBJUQNE-UHFFFAOYSA-N
XLogP2.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.97
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-(6-ethylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 61233848
N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 61234929
N'-benzyl-N-(4-ethyl-1,3-thiazol-2-yl)-N'-methylpropane-1,3-diamine
CID 62962811
6-N-ethyl-4-N-[3-(N-methylanilino)propyl]pyrimidine-4,6-diamine
CID 80771230
6-ethyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 63965722
N'-(6-ethylpyrimidin-4-yl)propane-1,3-diamine
CID 61234752
N'-benzyl-N-(2-chloro-6-methylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine
CID 62476091
N'-benzyl-N-(5-fluoropyrimidin-2-yl)-N'-methylpropane-1,3-diamine
CID 115749884
N'-benzyl-N-(5-iodopyrimidin-2-yl)-N'-methylpropane-1,3-diamine
CID 115620645
N-(2-phenylethyl)-6-propylpyrimidin-4-amine
CID 61240140
N'-methyl-N-(6-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine
CID 61226497
N-(6-ethoxypyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 66327351

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(6-ethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-benzyl-N-(6-ethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine (CID 61236239) is N'-benzyl-N-(6-ethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N-(6-ethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-benzyl-N-(6-ethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine is CCc1cc(NCCCN(C)Cc2ccccc2)ncn1.
What is the InChIKey of N'-benzyl-N-(6-ethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine?
The InChIKey is XAXOGKPNBJUQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-16-12-17(20-14-19-16)18-10-7-11-21(2)13-15-8-5-4-6-9-15/h4-6,8-9,12,14H,3,7,10-11,13H2,1-2H3,(H,18,19,20).
What are the key properties of N'-benzyl-N-(6-ethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine?
N'-benzyl-N-(6-ethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine has a molecular weight of 284.41 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(6-ethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 61236239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).