N-ethyl-N-phenyl-5-(propylaminomethyl)pyrazin-2-amine

C16H22N4 — CID 107378961

IUPACN-ethyl-N-phenyl-5-(propylaminomethyl)pyrazin-2-amine
SMILESCCCNCc1cnc(N(CC)c2ccccc2)cn1
InChIInChI=1S/C16H22N4/c1-3-10-17-11-14-12-19-16(13-18-14)20(4-2)15-8-6-5-7-9-15/h5-9,12-13,17H,3-4,10-11H2,1-2H3
InChIKeyOPJUIZAPGOPRLK-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.13
Rot. Bonds7

About N-ethyl-N-phenyl-5-(propylaminomethyl)pyrazin-2-amine

N-ethyl-N-phenyl-5-(propylaminomethyl)pyrazin-2-amine (PubChem CID 107378961) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-ethyl-N-phenyl-5-(propylaminomethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-N-phenyl-5-(propylaminomethyl)pyrazin-2-amine
PubChem CID107378961
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-ethyl-N-phenyl-5-(propylaminomethyl)pyrazin-2-amine
SMILESCCCNCc1cnc(N(CC)c2ccccc2)cn1
InChIInChI=1S/C16H22N4/c1-3-10-17-11-14-12-19-16(13-18-14)20(4-2)15-8-6-5-7-9-15/h5-9,12-13,17H,3-4,10-11H2,1-2H3
InChIKeyOPJUIZAPGOPRLK-UHFFFAOYSA-N
XLogP3.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.13
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-ethyl-5-(ethylaminomethyl)-N-(4-fluorophenyl)pyrazin-2-amine
CID 107379467
N-ethyl-4-methyl-N-phenyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83180589
N-butyl-N-ethyl-5-(propylaminomethyl)pyrazin-2-amine
CID 107378913
N-ethyl-N-(4-fluorophenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 62283567
N-ethyl-N-phenyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967964
6-N-ethyl-6-N-phenyl-2-N-propylpyridine-2,6-diamine
CID 80755878
5-(N-ethylanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288920
N-[[5-(1-phenylethoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381438
N-ethyl-3-methyl-N-phenyl-4-(propylaminomethyl)aniline
CID 63551327
2-N-ethyl-2-N-phenyl-6-N-propylpyrazine-2,6-diamine
CID 80756431
N-propyl-5-(propylaminomethyl)pyrazin-2-amine
CID 107380778
N,4-diethyl-N-phenyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62766568

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-5-(propylaminomethyl)pyrazin-2-amine?
The IUPAC name of N-ethyl-N-phenyl-5-(propylaminomethyl)pyrazin-2-amine (CID 107378961) is N-ethyl-N-phenyl-5-(propylaminomethyl)pyrazin-2-amine.
What is the SMILES notation for N-ethyl-N-phenyl-5-(propylaminomethyl)pyrazin-2-amine?
The canonical SMILES for N-ethyl-N-phenyl-5-(propylaminomethyl)pyrazin-2-amine is CCCNCc1cnc(N(CC)c2ccccc2)cn1.
What is the InChIKey of N-ethyl-N-phenyl-5-(propylaminomethyl)pyrazin-2-amine?
The InChIKey is OPJUIZAPGOPRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-3-10-17-11-14-12-19-16(13-18-14)20(4-2)15-8-6-5-7-9-15/h5-9,12-13,17H,3-4,10-11H2,1-2H3.
What are the key properties of N-ethyl-N-phenyl-5-(propylaminomethyl)pyrazin-2-amine?
N-ethyl-N-phenyl-5-(propylaminomethyl)pyrazin-2-amine has a molecular weight of 270.38 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-5-(propylaminomethyl)pyrazin-2-amine is sourced from PubChem (CID 107378961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).