5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine

C14H17FN4 — CID 103055545

IUPAC5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine
SMILESCNc1cnc(CN(C)Cc2cccc(F)c2)cn1
InChIInChI=1S/C14H17FN4/c1-16-14-8-17-13(7-18-14)10-19(2)9-11-4-3-5-12(15)6-11/h3-8H,9-10H2,1-2H3,(H,16,18)
InChIKeyCVUBZUSNSZDVIQ-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.29
Rot. Bonds5

About 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine

5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine (PubChem CID 103055545) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine
PubChem CID103055545
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine
SMILESCNc1cnc(CN(C)Cc2cccc(F)c2)cn1
InChIInChI=1S/C14H17FN4/c1-16-14-8-17-13(7-18-14)10-19(2)9-11-4-3-5-12(15)6-11/h3-8H,9-10H2,1-2H3,(H,16,18)
InChIKeyCVUBZUSNSZDVIQ-UHFFFAOYSA-N
XLogP2.29
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluoro-N-methylanilino)methyl]-N-methylpyrazin-2-amine
CID 103055908
5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine
CID 103056062
N-[(6-chloro-3-pyridinyl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 28802343
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine
CID 62208653
N-[(3-fluorophenyl)methyl]-N-methyl-6-(methylamino)pyridine-2-carboxamide
CID 62239255
5-[[(3-bromophenyl)methyl-methylamino]methyl]pyrazin-2-amine
CID 103056056
N-(5-chloro-2-pyridinyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 86908832
1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 55122035
[3-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine
CID 62894998
2-N-[(3-fluorophenyl)methyl]-2-N-methylpyridine-2,5-diamine
CID 28801852
2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 61286506
2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 115257984

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine?
The IUPAC name of 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine (CID 103055545) is 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine?
The canonical SMILES for 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine is CNc1cnc(CN(C)Cc2cccc(F)c2)cn1.
What is the InChIKey of 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine?
The InChIKey is CVUBZUSNSZDVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-16-14-8-17-13(7-18-14)10-19(2)9-11-4-3-5-12(15)6-11/h3-8H,9-10H2,1-2H3,(H,16,18).
What are the key properties of 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine?
5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine has a molecular weight of 260.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 103055545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).