Chemical Components in the PDB

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YM6 : Summary

Code

YM6

One-letter code

X

Molecule name

1-[(2R)-4-(9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 [(2~{R})-4-(4,6,8,11-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaen-3-yl)morpholin-2-yl]methanamine

Formula

C14 H16 N6 O

Formal charge

0

Molecular weight

284.316 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC[CH]1CN(CCO1)c2ncnc3[nH]c4cnccc4c23
SMILES OpenEye OEToolkits 2.0.7 c1cncc2c1c3c([nH]2)ncnc3N4CCOC(C4)CN
Canonical SMILES CACTVS 3.385 NC[C@@H]1CN(CCO1)c2ncnc3[nH]c4cnccc4c23
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cncc2c1c3c([nH]2)ncnc3N4CCO[C@@H](C4)CN

IUPAC InChI

InChI=1S/C14H16N6O/c15-5-9-7-20(3-4-21-9)14-12-10-1-2-16-6-11(10)19-13(12)17-8-18-14/h1-2,6,8-9H,3-5,7,15H2,(H,17,18,19)/t9-/m1/s1

IUPAC InChI key

ZOMFTMSIQWYIQV-SECBINFHSA-N
YM6

wwPDB Information

Atom count

37 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-06-06

Last modified at

2023-09-23

Status

Released

Obsoleted

Not Assigned