Chemical Components in the PDB

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BVF : Summary

Code

BVF

One-letter code

X

Molecule name

4-METHYLPYRIDIN-2-AMINE

Synonyms

2-AMINO-4-PICOLINE

Systematic names

ProgramVersionName
ACDLabs 10.04 4-methylpyridin-2-amine
OpenEye OEToolkits 1.5.0 4-methylpyridin-2-amine

Formula

C6 H8 N2

Formal charge

0

Molecular weight

108.141 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1ccc(cc1N)C
SMILES CACTVS 3.341 Cc1ccnc(N)c1
SMILES OpenEye OEToolkits 1.5.0 Cc1ccnc(c1)N
Canonical SMILES CACTVS 3.341 Cc1ccnc(N)c1
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1ccnc(c1)N

IUPAC InChI

InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)

IUPAC InChI key

ORLGLBZRQYOWNA-UHFFFAOYSA-N
BVF

wwPDB Information

Atom count

16 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-11-08

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned