N-[(2-aminophenyl)methyl]-3-methyl-N-propylpyrazin-2-amine

C15H20N4 — CID 83062625

IUPACN-[(2-aminophenyl)methyl]-3-methyl-N-propylpyrazin-2-amine
SMILESCCCN(Cc1ccccc1N)c1nccnc1C
InChIInChI=1S/C15H20N4/c1-3-10-19(15-12(2)17-8-9-18-15)11-13-6-4-5-7-14(13)16/h4-9H,3,10-11,16H2,1-2H3
InChIKeyYNBQOCBBOHZMFC-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.78
Rot. Bonds5

About N-[(2-aminophenyl)methyl]-3-methyl-N-propylpyrazin-2-amine

N-[(2-aminophenyl)methyl]-3-methyl-N-propylpyrazin-2-amine (PubChem CID 83062625) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-3-methyl-N-propylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-3-methyl-N-propylpyrazin-2-amine
PubChem CID83062625
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[(2-aminophenyl)methyl]-3-methyl-N-propylpyrazin-2-amine
SMILESCCCN(Cc1ccccc1N)c1nccnc1C
InChIInChI=1S/C15H20N4/c1-3-10-19(15-12(2)17-8-9-18-15)11-13-6-4-5-7-14(13)16/h4-9H,3,10-11,16H2,1-2H3
InChIKeyYNBQOCBBOHZMFC-UHFFFAOYSA-N
XLogP2.78
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-3-methyl-N-propylpyrazin-2-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-3-methyl-N-propylpyrazin-2-amine (CID 83062625) is N-[(2-aminophenyl)methyl]-3-methyl-N-propylpyrazin-2-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-3-methyl-N-propylpyrazin-2-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-3-methyl-N-propylpyrazin-2-amine is CCCN(Cc1ccccc1N)c1nccnc1C.
What is the InChIKey of N-[(2-aminophenyl)methyl]-3-methyl-N-propylpyrazin-2-amine?
The InChIKey is YNBQOCBBOHZMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-3-10-19(15-12(2)17-8-9-18-15)11-13-6-4-5-7-14(13)16/h4-9H,3,10-11,16H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-3-methyl-N-propylpyrazin-2-amine?
N-[(2-aminophenyl)methyl]-3-methyl-N-propylpyrazin-2-amine has a molecular weight of 256.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-3-methyl-N-propylpyrazin-2-amine is sourced from PubChem (CID 83062625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).