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Summary Geometry Related PDB entries

5AP

Summary

Name:	5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENYL)-2-(3,5-DIMETHOXYPHENYL)PYRIMIDIN-4-AMINE
Formula:	C19 H18 Cl2 N4 O2
Formal charge:	0
Formula weight:	405.278 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,5-dimethoxyphenyl)pyrimidin-4-amine
OpenEye OEToolkits	1.5.0	5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,5-dimethoxyphenyl)pyrimidin-4-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc3ccc(c1nc(nc(c1CN)N)c2cc(OC)cc(OC)c2)c(Cl)c3
SMILES_CANONICAL	CACTVS	3.341	COc1cc(OC)cc(c1)c2nc(N)c(CN)c(n2)c3ccc(Cl)cc3Cl
SMILES	CACTVS	3.341	COc1cc(OC)cc(c1)c2nc(N)c(CN)c(n2)c3ccc(Cl)cc3Cl
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	COc1cc(cc(c1)OC)c2nc(c(c(n2)N)CN)c3ccc(cc3Cl)Cl
SMILES	OpenEye OEToolkits	1.5.0	COc1cc(cc(c1)OC)c2nc(c(c(n2)N)CN)c3ccc(cc3Cl)Cl
InChI	InChI	1.03	InChI=1S/C19H18Cl2N4O2/c1-26-12-5-10(6-13(8-12)27-2)19-24-17(15(9-22)18(23)25-19)14-4-3-11(20)7-16(14)21/h3-8H,9,22H2,1-2H3,(H2,23,24,25)
InChIKey	InChI	1.03	RCJFINNFYUNFGH-UHFFFAOYSA-N

246905

PDB entries from 2025-12-31

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