N-(4-imidazol-1-ylbutyl)-3,6-dimethylpyrazin-2-amine

C13H19N5 — CID 65416898

IUPACN-(4-imidazol-1-ylbutyl)-3,6-dimethylpyrazin-2-amine
SMILESCc1cnc(C)c(NCCCCn2ccnc2)n1
InChIInChI=1S/C13H19N5/c1-11-9-16-12(2)13(17-11)15-5-3-4-7-18-8-6-14-10-18/h6,8-10H,3-5,7H2,1-2H3,(H,15,17)
InChIKeyHGXFZGPMYZVWST-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.18
Rot. Bonds6

About N-(4-imidazol-1-ylbutyl)-3,6-dimethylpyrazin-2-amine

N-(4-imidazol-1-ylbutyl)-3,6-dimethylpyrazin-2-amine (PubChem CID 65416898) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(4-imidazol-1-ylbutyl)-3,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-(4-imidazol-1-ylbutyl)-3,6-dimethylpyrazin-2-amine
PubChem CID65416898
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-(4-imidazol-1-ylbutyl)-3,6-dimethylpyrazin-2-amine
SMILESCc1cnc(C)c(NCCCCn2ccnc2)n1
InChIInChI=1S/C13H19N5/c1-11-9-16-12(2)13(17-11)15-5-3-4-7-18-8-6-14-10-18/h6,8-10H,3-5,7H2,1-2H3,(H,15,17)
InChIKeyHGXFZGPMYZVWST-UHFFFAOYSA-N
XLogP2.18
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-imidazol-1-ylbutyl)-3,6-dimethylpyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydrazinyl-N-(4-imidazol-1-ylbutyl)-5-methylpyrimidin-4-amine
CID 80903292
5-fluoro-4-N-(4-imidazol-1-ylbutyl)pyrimidine-2,4-diamine
CID 80819497
N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
CID 62960707
1-cyclopropyl-N-(4-imidazol-1-ylbutyl)-4-methylimidazol-2-amine
CID 106565967
4-N-(3-imidazol-1-ylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80753852
1-[2-(3-imidazol-1-ylpropylamino)-4-methylpyrimidin-5-yl]ethanone
CID 72892657
4-N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80984374
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431937
5-chloro-4-N-(3-imidazol-1-ylpropyl)-2-N-methylpyrimidine-2,4-diamine
CID 80753932
N'-(3,6-dimethylpyrazin-2-yl)-N-ethylpropane-1,3-diamine
CID 61019786
4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine
CID 55124703

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylbutyl)-3,6-dimethylpyrazin-2-amine?
The IUPAC name of N-(4-imidazol-1-ylbutyl)-3,6-dimethylpyrazin-2-amine (CID 65416898) is N-(4-imidazol-1-ylbutyl)-3,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-(4-imidazol-1-ylbutyl)-3,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-(4-imidazol-1-ylbutyl)-3,6-dimethylpyrazin-2-amine is Cc1cnc(C)c(NCCCCn2ccnc2)n1.
What is the InChIKey of N-(4-imidazol-1-ylbutyl)-3,6-dimethylpyrazin-2-amine?
The InChIKey is HGXFZGPMYZVWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-11-9-16-12(2)13(17-11)15-5-3-4-7-18-8-6-14-10-18/h6,8-10H,3-5,7H2,1-2H3,(H,15,17).
What are the key properties of N-(4-imidazol-1-ylbutyl)-3,6-dimethylpyrazin-2-amine?
N-(4-imidazol-1-ylbutyl)-3,6-dimethylpyrazin-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylbutyl)-3,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 65416898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).