N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine

C16H24N4S — CID 79490143

IUPACN-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine
SMILESCCCNCc1cncc(N(C)C(C)Cc2cccs2)n1
InChIInChI=1S/C16H24N4S/c1-4-7-17-10-14-11-18-12-16(19-14)20(3)13(2)9-15-6-5-8-21-15/h5-6,8,11-13,17H,4,7,9-10H2,1-3H3
InChIKeyXNNKGPINEWYQNH-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.11
Rot. Bonds8

About N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine

N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine (PubChem CID 79490143) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine
PubChem CID79490143
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC NameN-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine
SMILESCCCNCc1cncc(N(C)C(C)Cc2cccs2)n1
InChIInChI=1S/C16H24N4S/c1-4-7-17-10-14-11-18-12-16(19-14)20(3)13(2)9-15-6-5-8-21-15/h5-6,8,11-13,17H,4,7,9-10H2,1-3H3
InChIKeyXNNKGPINEWYQNH-UHFFFAOYSA-N
XLogP3.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 79490150
6-(ethylaminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyrazin-2-amine
CID 66456842
3-N-methyl-1-N-propyl-3-N-(1-thiophen-2-ylpropan-2-yl)butane-1,3-diamine
CID 79493690
4-N,2-dimethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80836659
6-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 79490139
N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine
CID 79486315
6-(methylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazin-2-amine
CID 66451437
N-[[1-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine
CID 114204286
5-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine
CID 107380520
5-N-methyl-5-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,5-diamine
CID 104535249
2-N,4-N,6-trimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80850116
5-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 80634325

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine?
The IUPAC name of N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine (CID 79490143) is N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine.
What is the SMILES notation for N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine?
The canonical SMILES for N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine is CCCNCc1cncc(N(C)C(C)Cc2cccs2)n1.
What is the InChIKey of N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine?
The InChIKey is XNNKGPINEWYQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-4-7-17-10-14-11-18-12-16(19-14)20(3)13(2)9-15-6-5-8-21-15/h5-6,8,11-13,17H,4,7,9-10H2,1-3H3.
What are the key properties of N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine?
N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine has a molecular weight of 304.46 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine is sourced from PubChem (CID 79490143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).