2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine

C14H26N4O — CID 106014673

IUPAC2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NCCCCOC(C)C)n1
InChIInChI=1S/C14H26N4O/c1-4-7-16-13-10-15-11-14(18-13)17-8-5-6-9-19-12(2)3/h10-12H,4-9H2,1-3H3,(H2,16,17,18)
InChIKeySJDRDRHJYKGMNQ-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.92
Rot. Bonds10

About 2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine

2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine (PubChem CID 106014673) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine
PubChem CID106014673
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NCCCCOC(C)C)n1
InChIInChI=1S/C14H26N4O/c1-4-7-16-13-10-15-11-14(18-13)17-8-5-6-9-19-12(2)3/h10-12H,4-9H2,1-3H3,(H2,16,17,18)
InChIKeySJDRDRHJYKGMNQ-UHFFFAOYSA-N
XLogP2.92
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine 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-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 104766984
6-chloro-N-(2-propan-2-yloxyethyl)pyrazin-2-amine
CID 104576969
6-chloro-2-N-(4-propan-2-yloxybutyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 106014722
5-methyl-N-(4-propan-2-yloxybutyl)pyridazin-3-amine
CID 106012460
5-methyl-4-N-(4-propan-2-yloxybutyl)-6-N-propylpyrimidine-4,6-diamine
CID 106014837
2-N-[2-[di(propan-2-yl)amino]ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80770603
2-N-(4-propan-2-yloxybutyl)pyridine-2,5-diamine
CID 106006897
2-ethyl-6-hydrazinyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 114137244
5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
CID 104844363
6-(3-methoxypropylsulfanyl)-N-propylpyrazin-2-amine
CID 80890057
2-N-ethyl-2-N-(1-methoxypropan-2-yl)-6-N-propylpyrazine-2,6-diamine
CID 80814670
6-chloro-2-propan-2-yl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 114137332

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine (CID 106014673) is 2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(NCCCCOC(C)C)n1.
What is the InChIKey of 2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine?
The InChIKey is SJDRDRHJYKGMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-7-16-13-10-15-11-14(18-13)17-8-5-6-9-19-12(2)3/h10-12H,4-9H2,1-3H3,(H2,16,17,18).
What are the key properties of 2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine?
2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine has a molecular weight of 266.39 g/mol, XLogP of 2.92, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 106014673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).