N-[4-(2-methoxyethoxy)butyl]-5,6-dimethylpyrazin-2-amine

C13H23N3O2 — CID 114476158

IUPACN-[4-(2-methoxyethoxy)butyl]-5,6-dimethylpyrazin-2-amine
SMILESCOCCOCCCCNc1cnc(C)c(C)n1
InChIInChI=1S/C13H23N3O2/c1-11-12(2)16-13(10-15-11)14-6-4-5-7-18-9-8-17-3/h10H,4-9H2,1-3H3,(H,14,16)
InChIKeyBXCJRXBFTNSLFT-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.95
Rot. Bonds9

About N-[4-(2-methoxyethoxy)butyl]-5,6-dimethylpyrazin-2-amine

N-[4-(2-methoxyethoxy)butyl]-5,6-dimethylpyrazin-2-amine (PubChem CID 114476158) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)butyl]-5,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)butyl]-5,6-dimethylpyrazin-2-amine
PubChem CID114476158
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[4-(2-methoxyethoxy)butyl]-5,6-dimethylpyrazin-2-amine
SMILESCOCCOCCCCNc1cnc(C)c(C)n1
InChIInChI=1S/C13H23N3O2/c1-11-12(2)16-13(10-15-11)14-6-4-5-7-18-9-8-17-3/h10H,4-9H2,1-3H3,(H,14,16)
InChIKeyBXCJRXBFTNSLFT-UHFFFAOYSA-N
XLogP1.95
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-(2-methoxyethoxy)butyl]-5,6-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

N-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrazin-2-amine
CID 114475636
N-(2-butoxyethyl)-5,6-dimethylpyrazin-2-amine
CID 114475476
3-[(5,6-dimethylpyrazin-2-yl)amino]-N-(2-methoxyethyl)propanamide
CID 114476137
5-[(5,6-dimethylpyrazin-2-yl)amino]pentanamide
CID 106238601
5,6-dimethyl-N-(3-methylsulfonylpropyl)pyrazin-2-amine
CID 114475440
N-(2-chloro-3-methoxypropyl)-5,6-dimethylpyrazin-2-amine
CID 114477459
4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine
CID 115749068
6-[2-(3-methoxypropoxy)ethoxy]-N-propylpyrazin-2-amine
CID 103176484
6-chloro-N-[4-(2-methoxyethoxy)butyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102716177
N-(2-methoxypropyl)-5,6-dimethylpyrazin-2-amine
CID 102698959
5,6-dimethyl-N-(2-methylsulfonylethyl)pyrazin-2-amine
CID 114475378
3,5-dichloro-2-N-ethyl-6-N-[4-(2-methoxyethoxy)butyl]pyridine-2,6-diamine
CID 102759816

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)butyl]-5,6-dimethylpyrazin-2-amine?
The IUPAC name of N-[4-(2-methoxyethoxy)butyl]-5,6-dimethylpyrazin-2-amine (CID 114476158) is N-[4-(2-methoxyethoxy)butyl]-5,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-[4-(2-methoxyethoxy)butyl]-5,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-[4-(2-methoxyethoxy)butyl]-5,6-dimethylpyrazin-2-amine is COCCOCCCCNc1cnc(C)c(C)n1.
What is the InChIKey of N-[4-(2-methoxyethoxy)butyl]-5,6-dimethylpyrazin-2-amine?
The InChIKey is BXCJRXBFTNSLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-11-12(2)16-13(10-15-11)14-6-4-5-7-18-9-8-17-3/h10H,4-9H2,1-3H3,(H,14,16).
What are the key properties of N-[4-(2-methoxyethoxy)butyl]-5,6-dimethylpyrazin-2-amine?
N-[4-(2-methoxyethoxy)butyl]-5,6-dimethylpyrazin-2-amine has a molecular weight of 253.35 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)butyl]-5,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 114476158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).