N-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine

C16H22N4 — CID 60631387

IUPACN-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
SMILESCc1cnc(C)c(NCCCN(C)c2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-13-12-18-14(2)16(19-13)17-10-7-11-20(3)15-8-5-4-6-9-15/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,17,19)
InChIKeyPAOYCGFLNFOTLP-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.03
Rot. Bonds6

About N-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine

N-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine (PubChem CID 60631387) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
PubChem CID60631387
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
SMILESCc1cnc(C)c(NCCCN(C)c2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-13-12-18-14(2)16(19-13)17-10-7-11-20(3)15-8-5-4-6-9-15/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,17,19)
InChIKeyPAOYCGFLNFOTLP-UHFFFAOYSA-N
XLogP3.03
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.03
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

3,6-dimethyl-N-(2-phenylethyl)pyrazin-2-amine
CID 60631499
2-methyl-4-N-[3-(N-methylanilino)propyl]-1H-imidazole-4,5-diamine
CID 55012088
3,6-dimethyl-N-pentylpyrazin-2-amine
CID 60631563
N'-methyl-N-(6-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine
CID 61226497
6-N-methyl-2-N-[3-(N-methylanilino)propyl]pyrazine-2,6-diamine
CID 80784811
3-[3-(N-methylanilino)propylamino]-1H-pyrazin-2-one
CID 115656911
N'-(3,6-dimethylpyrazin-2-yl)-N-ethylpropane-1,3-diamine
CID 61019786
N-(1-ethyl-4-methylimidazol-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 106556671
N-(4-chloropentyl)-3,6-dimethylpyrazin-2-amine
CID 106124735
N-(4-methoxy-6-methylpyrimidin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 115626951
N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 29068124
4-methyl-1-N-[3-(N-methylanilino)propyl]benzene-1,3-diamine
CID 62910733

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine?
The IUPAC name of N-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine (CID 60631387) is N-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine is Cc1cnc(C)c(NCCCN(C)c2ccccc2)n1.
What is the InChIKey of N-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine?
The InChIKey is PAOYCGFLNFOTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13-12-18-14(2)16(19-13)17-10-7-11-20(3)15-8-5-4-6-9-15/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,17,19).
What are the key properties of N-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine?
N-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 60631387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).