6-pentan-2-yloxy-N-propylpyrazin-2-amine

C12H21N3O — CID 102989461

IUPAC6-pentan-2-yloxy-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(OC(C)CCC)n1
InChIInChI=1S/C12H21N3O/c1-4-6-10(3)16-12-9-13-8-11(15-12)14-7-5-2/h8-10H,4-7H2,1-3H3,(H,14,15)
InChIKeyDXTXAZMTKXROCH-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.87
Rot. Bonds7

About 6-pentan-2-yloxy-N-propylpyrazin-2-amine

6-pentan-2-yloxy-N-propylpyrazin-2-amine (PubChem CID 102989461) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-pentan-2-yloxy-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name6-pentan-2-yloxy-N-propylpyrazin-2-amine
PubChem CID102989461
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name6-pentan-2-yloxy-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(OC(C)CCC)n1
InChIInChI=1S/C12H21N3O/c1-4-6-10(3)16-12-9-13-8-11(15-12)14-7-5-2/h8-10H,4-7H2,1-3H3,(H,14,15)
InChIKeyDXTXAZMTKXROCH-UHFFFAOYSA-N
XLogP2.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-pentan-2-yloxy-N-propylpyrazin-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-ethyl-6-octan-2-yloxypyrazin-2-amine
CID 80861950
6-pentan-2-yloxypyrazin-2-amine
CID 102988494
2-ethyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine
CID 102989348
6-pentan-2-yloxy-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102989406
2-(chloromethyl)-6-pentan-2-yloxypyrazine
CID 102983061
2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 104766984
N-[2-(2-chloroethyl)pentyl]-6-propan-2-yloxypyrazin-2-amine
CID 106117265
6-phenylmethoxy-N-propylpyrazin-2-amine
CID 80858905
4-pentan-2-yloxy-N-propylpyrimidin-2-amine
CID 102989423
2-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butanoic acid
CID 80539579
2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine
CID 106014673
4-methoxy-1-N-(6-propan-2-yloxypyrazin-2-yl)butane-1,3-diamine
CID 106244415

Frequently Asked Questions

What is the IUPAC name of 6-pentan-2-yloxy-N-propylpyrazin-2-amine?
The IUPAC name of 6-pentan-2-yloxy-N-propylpyrazin-2-amine (CID 102989461) is 6-pentan-2-yloxy-N-propylpyrazin-2-amine.
What is the SMILES notation for 6-pentan-2-yloxy-N-propylpyrazin-2-amine?
The canonical SMILES for 6-pentan-2-yloxy-N-propylpyrazin-2-amine is CCCNc1cncc(OC(C)CCC)n1.
What is the InChIKey of 6-pentan-2-yloxy-N-propylpyrazin-2-amine?
The InChIKey is DXTXAZMTKXROCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-6-10(3)16-12-9-13-8-11(15-12)14-7-5-2/h8-10H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 6-pentan-2-yloxy-N-propylpyrazin-2-amine?
6-pentan-2-yloxy-N-propylpyrazin-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentan-2-yloxy-N-propylpyrazin-2-amine is sourced from PubChem (CID 102989461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).