Chemical Components in the PDB

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NSP : Summary

Code

NSP

One-letter code

X

Molecule name

5-(AMINOMETHYL)-2-METHYLPYRIMIDIN-4-AMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 5-(aminomethyl)-2-methylpyrimidin-4-amine
OpenEye OEToolkits 1.5.0 5-(aminomethyl)-2-methyl-pyrimidin-4-amine

Formula

C6 H10 N4

Formal charge

0

Molecular weight

138.17 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1c(N)c(cnc1C)CN
SMILES CACTVS 3.341 Cc1ncc(CN)c(N)n1
SMILES OpenEye OEToolkits 1.5.0 Cc1ncc(c(n1)N)CN
Canonical SMILES CACTVS 3.341 Cc1ncc(CN)c(N)n1
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1ncc(c(n1)N)CN

IUPAC InChI

InChI=1S/C6H10N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,2,7H2,1H3,(H2,8,9,10)

IUPAC InChI key

OZOHTVFCSKFMLL-UHFFFAOYSA-N
NSP

wwPDB Information

Atom count

20 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-09-15

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned