6-N-methyl-2-N-[3-(N-methylanilino)propyl]pyrazine-2,6-diamine

C15H21N5 — CID 80784811

IUPAC6-N-methyl-2-N-[3-(N-methylanilino)propyl]pyrazine-2,6-diamine
SMILESCNc1cncc(NCCCN(C)c2ccccc2)n1
InChIInChI=1S/C15H21N5/c1-16-14-11-17-12-15(19-14)18-9-6-10-20(2)13-7-4-3-5-8-13/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H2,16,18,19)
InChIKeyLDDGVYHSMXVWLJ-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.46
Rot. Bonds7

About 6-N-methyl-2-N-[3-(N-methylanilino)propyl]pyrazine-2,6-diamine

6-N-methyl-2-N-[3-(N-methylanilino)propyl]pyrazine-2,6-diamine (PubChem CID 80784811) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 6-N-methyl-2-N-[3-(N-methylanilino)propyl]pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-2-N-[3-(N-methylanilino)propyl]pyrazine-2,6-diamine
PubChem CID80784811
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name6-N-methyl-2-N-[3-(N-methylanilino)propyl]pyrazine-2,6-diamine
SMILESCNc1cncc(NCCCN(C)c2ccccc2)n1
InChIInChI=1S/C15H21N5/c1-16-14-11-17-12-15(19-14)18-9-6-10-20(2)13-7-4-3-5-8-13/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H2,16,18,19)
InChIKeyLDDGVYHSMXVWLJ-UHFFFAOYSA-N
XLogP2.46
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-N-methyl-2-N-(2-phenylethyl)pyrazine-2,6-diamine
CID 80778395
N-(6-methoxy-2-pyridinyl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 63591094
N'-methyl-N-(6-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine
CID 61226497
6-N-ethyl-4-N-[3-(N-methylanilino)propyl]pyrimidine-4,6-diamine
CID 80771230
N-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 60631387
N'-methyl-N'-phenyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine
CID 115372311
N-(6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 80932869
N'-methyl-N'-phenyl-N-(1-propan-2-ylimidazol-2-yl)propane-1,3-diamine
CID 106556651
N-(6-chloropyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 60726185
N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 80938806
6-N-[3-(dimethylamino)propyl]-2-N-methylpyridine-2,6-diamine
CID 80778351
2-chloro-6-[3-(N-methylanilino)propylamino]pyridine-4-carbonitrile
CID 83077592

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-N-[3-(N-methylanilino)propyl]pyrazine-2,6-diamine?
The IUPAC name of 6-N-methyl-2-N-[3-(N-methylanilino)propyl]pyrazine-2,6-diamine (CID 80784811) is 6-N-methyl-2-N-[3-(N-methylanilino)propyl]pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-2-N-[3-(N-methylanilino)propyl]pyrazine-2,6-diamine?
The canonical SMILES for 6-N-methyl-2-N-[3-(N-methylanilino)propyl]pyrazine-2,6-diamine is CNc1cncc(NCCCN(C)c2ccccc2)n1.
What is the InChIKey of 6-N-methyl-2-N-[3-(N-methylanilino)propyl]pyrazine-2,6-diamine?
The InChIKey is LDDGVYHSMXVWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-16-14-11-17-12-15(19-14)18-9-6-10-20(2)13-7-4-3-5-8-13/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H2,16,18,19).
What are the key properties of 6-N-methyl-2-N-[3-(N-methylanilino)propyl]pyrazine-2,6-diamine?
6-N-methyl-2-N-[3-(N-methylanilino)propyl]pyrazine-2,6-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-N-[3-(N-methylanilino)propyl]pyrazine-2,6-diamine is sourced from PubChem (CID 80784811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).