N-(4-methoxybutyl)-3-methylpyrazin-2-amine

C10H17N3O — CID 83063291

IUPACN-(4-methoxybutyl)-3-methylpyrazin-2-amine
SMILESCOCCCCNc1nccnc1C
InChIInChI=1S/C10H17N3O/c1-9-10(13-7-6-11-9)12-5-3-4-8-14-2/h6-7H,3-5,8H2,1-2H3,(H,12,13)
InChIKeySYYFTVOAYFWXLB-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.62
Rot. Bonds6

About N-(4-methoxybutyl)-3-methylpyrazin-2-amine

N-(4-methoxybutyl)-3-methylpyrazin-2-amine (PubChem CID 83063291) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-(4-methoxybutyl)-3-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-(4-methoxybutyl)-3-methylpyrazin-2-amine
PubChem CID83063291
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-(4-methoxybutyl)-3-methylpyrazin-2-amine
SMILESCOCCCCNc1nccnc1C
InChIInChI=1S/C10H17N3O/c1-9-10(13-7-6-11-9)12-5-3-4-8-14-2/h6-7H,3-5,8H2,1-2H3,(H,12,13)
InChIKeySYYFTVOAYFWXLB-UHFFFAOYSA-N
XLogP1.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.62
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

3-(4-methoxybutylamino)pyrazine-2-carbonitrile
CID 62673581
N'-(3-methylpyrazin-2-yl)propane-1,3-diamine
CID 83064699
N-(2-ethoxyethyl)-3-methylpyrazin-2-amine
CID 83064556
4-methoxy-2-methyl-1-[(3-methylpyrazin-2-yl)amino]butan-2-ol
CID 106253528
ethyl 4-[(3-methylpyrazin-2-yl)amino]butanoate
CID 83062864
5-bromo-N-(4-methoxybutyl)isoquinolin-1-amine
CID 113346423
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine
CID 83064425
5-bromo-4-N-(4-methoxybutyl)-2-N-methylpyrimidine-2,4-diamine
CID 80813067
3-methyl-N-(3,3,3-trifluoropropyl)pyrazin-2-amine
CID 83064931
2,5-dichloro-N-(4-methoxybutyl)pyrimidin-4-amine
CID 79633123
3-(3-methoxypropylamino)-1-methylpyrazin-2-one
CID 62939042
2-tert-butyl-6-N-ethyl-4-N-(4-methoxybutyl)-5-methylpyrimidine-4,6-diamine
CID 80983933

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-3-methylpyrazin-2-amine?
The IUPAC name of N-(4-methoxybutyl)-3-methylpyrazin-2-amine (CID 83063291) is N-(4-methoxybutyl)-3-methylpyrazin-2-amine.
What is the SMILES notation for N-(4-methoxybutyl)-3-methylpyrazin-2-amine?
The canonical SMILES for N-(4-methoxybutyl)-3-methylpyrazin-2-amine is COCCCCNc1nccnc1C.
What is the InChIKey of N-(4-methoxybutyl)-3-methylpyrazin-2-amine?
The InChIKey is SYYFTVOAYFWXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-9-10(13-7-6-11-9)12-5-3-4-8-14-2/h6-7H,3-5,8H2,1-2H3,(H,12,13).
What are the key properties of N-(4-methoxybutyl)-3-methylpyrazin-2-amine?
N-(4-methoxybutyl)-3-methylpyrazin-2-amine has a molecular weight of 195.27 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-3-methylpyrazin-2-amine is sourced from PubChem (CID 83063291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).