Chemical Components in the PDB

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95F : Summary

Code

95F

One-letter code

X

Molecule name

5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine

Systematic names

ProgramVersionName
ACDLabs 12.01 5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine
OpenEye OEToolkits 2.0.6 5-ethyl-4-methyl-6-morpholin-4-yl-pyrimidin-2-amine

Formula

C11 H18 N4 O

Formal charge

0

Molecular weight

222.287 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c2(nc(N1CCOCC1)c(c(n2)C)CC)N
SMILES CACTVS 3.385 CCc1c(C)nc(N)nc1N2CCOCC2
SMILES OpenEye OEToolkits 2.0.6 CCc1c(nc(nc1N2CCOCC2)N)C
Canonical SMILES CACTVS 3.385 CCc1c(C)nc(N)nc1N2CCOCC2
Canonical SMILES OpenEye OEToolkits 2.0.6 CCc1c(nc(nc1N2CCOCC2)N)C

IUPAC InChI

InChI=1S/C11H18N4O/c1-3-9-8(2)13-11(12)14-10(9)15-4-6-16-7-5-15/h3-7H2,1-2H3,(H2,12,13,14)

IUPAC InChI key

VYZIWKYGVDQKSB-UHFFFAOYSA-N
95F

wwPDB Information

Atom count

34 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-12-22

Last modified at

2020-10-23

Status

Released

Obsoleted

Not Assigned