N-(3-fluorobutyl)-6-methylpyrazin-2-amine

C9H14FN3 — CID 130835221

IUPACN-(3-fluorobutyl)-6-methylpyrazin-2-amine
SMILESCc1cncc(NCCC(C)F)n1
InChIInChI=1S/C9H14FN3/c1-7(10)3-4-12-9-6-11-5-8(2)13-9/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyXBFKVHOWSYNSTE-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.95
Rot. Bonds4

About N-(3-fluorobutyl)-6-methylpyrazin-2-amine

N-(3-fluorobutyl)-6-methylpyrazin-2-amine (PubChem CID 130835221) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is N-(3-fluorobutyl)-6-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-(3-fluorobutyl)-6-methylpyrazin-2-amine
PubChem CID130835221
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC NameN-(3-fluorobutyl)-6-methylpyrazin-2-amine
SMILESCc1cncc(NCCC(C)F)n1
InChIInChI=1S/C9H14FN3/c1-7(10)3-4-12-9-6-11-5-8(2)13-9/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyXBFKVHOWSYNSTE-UHFFFAOYSA-N
XLogP1.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-fluorobutyl)-6-methylpyrazin-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-(5,5-dimethylhexyl)-6-methylpyrazin-2-amine
CID 133470236
6-N-ethyl-2-N-(3-methylbutyl)pyrazine-2,6-diamine
CID 78917989
N-[2-[(6-methylpyrazin-2-yl)amino]ethyl]acetamide
CID 126990889
N-[3-(4-fluorophenoxy)propyl]-6-methylpyrazin-2-amine
CID 133469091
N-[2-(2,4-difluorophenyl)ethyl]-6-methylpyrazin-2-amine
CID 133471001
N-(3-fluorobutyl)-4-methylpyrimidin-2-amine
CID 130637741
1-(4-tert-butylphenyl)-2-[(6-methylpyrazin-2-yl)amino]ethanol
CID 133471375
N-hexan-3-yl-6-methylpyrazin-2-amine
CID 143718036
6-(3-hydroxybutylamino)pyrazine-2-carboxylic acid
CID 66450555
4-[(6-chloropyrazin-2-yl)amino]-2-methylbutanoic acid
CID 114335486
N-[(2,2-dimethylcyclopropyl)methyl]-6-methylpyrazin-2-amine
CID 131070929
N-[4-[2-[(6-methylpyrazin-2-yl)amino]ethyl]phenyl]acetamide
CID 133470212

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorobutyl)-6-methylpyrazin-2-amine?
The IUPAC name of N-(3-fluorobutyl)-6-methylpyrazin-2-amine (CID 130835221) is N-(3-fluorobutyl)-6-methylpyrazin-2-amine.
What is the SMILES notation for N-(3-fluorobutyl)-6-methylpyrazin-2-amine?
The canonical SMILES for N-(3-fluorobutyl)-6-methylpyrazin-2-amine is Cc1cncc(NCCC(C)F)n1.
What is the InChIKey of N-(3-fluorobutyl)-6-methylpyrazin-2-amine?
The InChIKey is XBFKVHOWSYNSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-7(10)3-4-12-9-6-11-5-8(2)13-9/h5-7H,3-4H2,1-2H3,(H,12,13).
What are the key properties of N-(3-fluorobutyl)-6-methylpyrazin-2-amine?
N-(3-fluorobutyl)-6-methylpyrazin-2-amine has a molecular weight of 183.23 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorobutyl)-6-methylpyrazin-2-amine is sourced from PubChem (CID 130835221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).