Chemical Components in the PDB

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TI5 : Summary

Code

TI5

One-letter code

X

Molecule name

5-methylpyrimidin-4-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 5-methylpyrimidin-4-amine

Formula

C5 H7 N3

Formal charge

0

Molecular weight

109.129 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1cncnc1N
SMILES OpenEye OEToolkits 2.0.7 Cc1cncnc1N
Canonical SMILES CACTVS 3.385 Cc1cncnc1N
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1cncnc1N

IUPAC InChI

InChI=1S/C5H7N3/c1-4-2-7-3-8-5(4)6/h2-3H,1H3,(H2,6,7,8)

IUPAC InChI key

XSCYITPLDKUZJB-UHFFFAOYSA-N
TI5

wwPDB Information

Atom count

15 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-01-05

Last modified at

2023-06-02

Status

Released

Obsoleted

Not Assigned