5-[(3,6-dimethylpyrazin-2-yl)-methylamino]pentan-1-ol

C12H21N3O — CID 107203507

IUPAC5-[(3,6-dimethylpyrazin-2-yl)-methylamino]pentan-1-ol
SMILESCc1cnc(C)c(N(C)CCCCCO)n1
InChIInChI=1S/C12H21N3O/c1-10-9-13-11(2)12(14-10)15(3)7-5-4-6-8-16/h9,16H,4-8H2,1-3H3
InChIKeyVQEXVMRVOBPKCC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.69
Rot. Bonds6

About 5-[(3,6-dimethylpyrazin-2-yl)-methylamino]pentan-1-ol

5-[(3,6-dimethylpyrazin-2-yl)-methylamino]pentan-1-ol (PubChem CID 107203507) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-[(3,6-dimethylpyrazin-2-yl)-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(3,6-dimethylpyrazin-2-yl)-methylamino]pentan-1-ol
PubChem CID107203507
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-[(3,6-dimethylpyrazin-2-yl)-methylamino]pentan-1-ol
SMILESCc1cnc(C)c(N(C)CCCCCO)n1
InChIInChI=1S/C12H21N3O/c1-10-9-13-11(2)12(14-10)15(3)7-5-4-6-8-16/h9,16H,4-8H2,1-3H3
InChIKeyVQEXVMRVOBPKCC-UHFFFAOYSA-N
XLogP1.69
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,6-dimethylpyrazin-2-yl)-methylamino]butan-2-ol
CID 104695546
N,N-dihexyl-3,6-dimethylpyrazin-2-amine
CID 518224
5-[(5-amino-3-methyl-2-pyridinyl)-methylamino]pentan-1-ol
CID 107197760
N,3,6-trimethyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
CID 133468986
2-[cyclopropyl-(3,6-dimethylpyrazin-2-yl)amino]ethanol
CID 65418206
N'-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62591431
5-[(3,5-dibromo-2-pyridinyl)-methylamino]pentan-1-ol
CID 107203331
N,N-dibutyl-3,6-dimethylpyrazin-2-amine
CID 518401
5-[methyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 107207443
5-[(5-aminopyrazin-2-yl)-methylamino]pentan-1-ol
CID 107207397
5-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]pentan-1-ol
CID 107198062
5-[(3-fluoro-2-pyridinyl)-methylamino]pentan-1-ol
CID 107203383

Frequently Asked Questions

What is the IUPAC name of 5-[(3,6-dimethylpyrazin-2-yl)-methylamino]pentan-1-ol?
The IUPAC name of 5-[(3,6-dimethylpyrazin-2-yl)-methylamino]pentan-1-ol (CID 107203507) is 5-[(3,6-dimethylpyrazin-2-yl)-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(3,6-dimethylpyrazin-2-yl)-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(3,6-dimethylpyrazin-2-yl)-methylamino]pentan-1-ol is Cc1cnc(C)c(N(C)CCCCCO)n1.
What is the InChIKey of 5-[(3,6-dimethylpyrazin-2-yl)-methylamino]pentan-1-ol?
The InChIKey is VQEXVMRVOBPKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-9-13-11(2)12(14-10)15(3)7-5-4-6-8-16/h9,16H,4-8H2,1-3H3.
What are the key properties of 5-[(3,6-dimethylpyrazin-2-yl)-methylamino]pentan-1-ol?
5-[(3,6-dimethylpyrazin-2-yl)-methylamino]pentan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,6-dimethylpyrazin-2-yl)-methylamino]pentan-1-ol is sourced from PubChem (CID 107203507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).